1-[3-(diethylamino)imidazo[1,2-a]pyrazin-6-yl]-3-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]butan-1-one;methane;1-(3-propylimidazo[1,2-a]pyrazin-6-yl)-3-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]butan-1-one

C49H55F6N11O2S2 — CID 158523809

IUPAC1-[3-(diethylamino)imidazo[1,2-a]pyrazin-6-yl]-3-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]butan-1-one;methane;1-(3-propylimidazo[1,2-a]pyrazin-6-yl)-3-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]butan-1-one
SMILESC.C.CCCc1cnc2cnc(C(=O)CC(C)c3ncc(Nc4ccc(C(F)(F)F)cc4)s3)cn12.CCN(CC)c1cnc2cnc(C(=O)CC(C)c3ncc(Nc4ccc(C(F)(F)F)cc4)s3)cn12
InChIInChI=1S/C24H25F3N6OS.C23H22F3N5OS.2CH4/c1-4-32(5-2)22-13-29-20-11-28-18(14-33(20)22)19(34)10-15(3)23-30-12-21(35-23)31-17-8-6-16(7-9-17)24(25,26)27;1-3-4-17-10-28-20-11-27-18(13-31(17)20)19(32)9-14(2)22-29-12-21(33-22)30-16-7-5-15(6-8-16)23(24,25)26;;/h6-9,11-15,31H,4-5,10H2,1-3H3;5-8,10-14,30H,3-4,9H2,1-2H3;2*1H4
InChIKeyHMNSSFGEVMDMMG-UHFFFAOYSA-N
MW1008.18 g/mol
LogP13.72
Rot. Bonds17

About 1-[3-(diethylamino)imidazo[1,2-a]pyrazin-6-yl]-3-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]butan-1-one;methane;1-(3-propylimidazo[1,2-a]pyrazin-6-yl)-3-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]butan-1-one

1-[3-(diethylamino)imidazo[1,2-a]pyrazin-6-yl]-3-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]butan-1-one;methane;1-(3-propylimidazo[1,2-a]pyrazin-6-yl)-3-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]butan-1-one (PubChem CID 158523809) has the molecular formula C49H55F6N11O2S2 and a molecular weight of 1008.18 g/mol. Its IUPAC name is 1-[3-(diethylamino)imidazo[1,2-a]pyrazin-6-yl]-3-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]butan-1-one;methane;1-(3-propylimidazo[1,2-a]pyrazin-6-yl)-3-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]butan-1-one.

Molecular Properties

Compound Name1-[3-(diethylamino)imidazo[1,2-a]pyrazin-6-yl]-3-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]butan-1-one;methane;1-(3-propylimidazo[1,2-a]pyrazin-6-yl)-3-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]butan-1-one
PubChem CID158523809
Molecular FormulaC49H55F6N11O2S2
Molecular Weight1008.18 g/mol
Exact Mass1007.39
IUPAC Name1-[3-(diethylamino)imidazo[1,2-a]pyrazin-6-yl]-3-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]butan-1-one;methane;1-(3-propylimidazo[1,2-a]pyrazin-6-yl)-3-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]butan-1-one
SMILESC.C.CCCc1cnc2cnc(C(=O)CC(C)c3ncc(Nc4ccc(C(F)(F)F)cc4)s3)cn12.CCN(CC)c1cnc2cnc(C(=O)CC(C)c3ncc(Nc4ccc(C(F)(F)F)cc4)s3)cn12
InChIInChI=1S/C24H25F3N6OS.C23H22F3N5OS.2CH4/c1-4-32(5-2)22-13-29-20-11-28-18(14-33(20)22)19(34)10-15(3)23-30-12-21(35-23)31-17-8-6-16(7-9-17)24(25,26)27;1-3-4-17-10-28-20-11-27-18(13-31(17)20)19(32)9-14(2)22-29-12-21(33-22)30-16-7-5-15(6-8-16)23(24,25)26;;/h6-9,11-15,31H,4-5,10H2,1-3H3;5-8,10-14,30H,3-4,9H2,1-2H3;2*1H4
InChIKeyHMNSSFGEVMDMMG-UHFFFAOYSA-N
XLogP13.72
TPSA147.60 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001008.18
LogP ≤ 513.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 1-[3-(diethylamino)imidazo[1,2-a]pyrazin-6-yl]-3-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]butan-1-one;methane;1-(3-propylimidazo[1,2-a]pyrazin-6-yl)-3-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]butan-1-one with MolForge

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Related Compounds

3-Ethyl-8-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-7-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]purine-2,6-dione
CID 134208821
N-[2-[6-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]phenyl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 57664512
3-amino-N-[1-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]ethyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 68071744
2-ethyl-N-[1-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]ethyl]-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyrazine-6-carboxamide
CID 68071745
3-(ethylamino)-N-[1-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]ethyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 68071747
3-amino-2-methyl-N-[1-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]ethyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 68071748
3-(diethylamino)-N-[1-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]ethyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 68071749
N-[1-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]ethyl]-3-(2,4,4-trimethylpentan-2-ylamino)imidazo[1,2-a]pyrazine-6-carboxamide
CID 68072512
3-amino-2-ethyl-N-[1-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]ethyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 68072719
N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 88579372
3-(trifluoromethyl)-N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 88579381
N-[1-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-5-yl]ethyl]imidazo[1,2-a]pyrazine-3-carboxamide
CID 89051084

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)imidazo[1,2-a]pyrazin-6-yl]-3-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]butan-1-one;methane;1-(3-propylimidazo[1,2-a]pyrazin-6-yl)-3-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]butan-1-one?
The IUPAC name of 1-[3-(diethylamino)imidazo[1,2-a]pyrazin-6-yl]-3-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]butan-1-one;methane;1-(3-propylimidazo[1,2-a]pyrazin-6-yl)-3-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]butan-1-one (CID 158523809) is 1-[3-(diethylamino)imidazo[1,2-a]pyrazin-6-yl]-3-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]butan-1-one;methane;1-(3-propylimidazo[1,2-a]pyrazin-6-yl)-3-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]butan-1-one.
What is the SMILES notation for 1-[3-(diethylamino)imidazo[1,2-a]pyrazin-6-yl]-3-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]butan-1-one;methane;1-(3-propylimidazo[1,2-a]pyrazin-6-yl)-3-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]butan-1-one?
The canonical SMILES for 1-[3-(diethylamino)imidazo[1,2-a]pyrazin-6-yl]-3-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]butan-1-one;methane;1-(3-propylimidazo[1,2-a]pyrazin-6-yl)-3-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]butan-1-one is C.C.CCCc1cnc2cnc(C(=O)CC(C)c3ncc(Nc4ccc(C(F)(F)F)cc4)s3)cn12.CCN(CC)c1cnc2cnc(C(=O)CC(C)c3ncc(Nc4ccc(C(F)(F)F)cc4)s3)cn12.
What is the InChIKey of 1-[3-(diethylamino)imidazo[1,2-a]pyrazin-6-yl]-3-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]butan-1-one;methane;1-(3-propylimidazo[1,2-a]pyrazin-6-yl)-3-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]butan-1-one?
The InChIKey is HMNSSFGEVMDMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6OS.C23H22F3N5OS.2CH4/c1-4-32(5-2)22-13-29-20-11-28-18(14-33(20)22)19(34)10-15(3)23-30-12-21(35-23)31-17-8-6-16(7-9-17)24(25,26)27;1-3-4-17-10-28-20-11-27-18(13-31(17)20)19(32)9-14(2)22-29-12-21(33-22)30-16-7-5-15(6-8-16)23(24,25)26;;/h6-9,11-15,31H,4-5,10H2,1-3H3;5-8,10-14,30H,3-4,9H2,1-2H3;2*1H4.
What are the key properties of 1-[3-(diethylamino)imidazo[1,2-a]pyrazin-6-yl]-3-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]butan-1-one;methane;1-(3-propylimidazo[1,2-a]pyrazin-6-yl)-3-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]butan-1-one?
1-[3-(diethylamino)imidazo[1,2-a]pyrazin-6-yl]-3-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]butan-1-one;methane;1-(3-propylimidazo[1,2-a]pyrazin-6-yl)-3-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]butan-1-one has a molecular weight of 1008.18 g/mol, XLogP of 13.72, 17 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)imidazo[1,2-a]pyrazin-6-yl]-3-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]butan-1-one;methane;1-(3-propylimidazo[1,2-a]pyrazin-6-yl)-3-[5-[4-(trifluoromethyl)anilino]-1,3-thiazol-2-yl]butan-1-one is sourced from PubChem (CID 158523809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).