N-[2-[cyclopropylmethyl-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

C25H24F3N5O2S2 — CID 67446495

IUPACN-[2-[cyclopropylmethyl-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc(C(=O)N(CCNC(=O)c2c(C)nc3sccn23)CC2CC2)c(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C25H24F3N5O2S2/c1-14-20(33-10-11-36-24(33)30-14)22(34)29-8-9-32(13-16-6-7-16)23(35)19-21(37-15(2)31-19)17-4-3-5-18(12-17)25(26,27)28/h3-5,10-12,16H,6-9,13H2,1-2H3,(H,29,34)
InChIKeyBDGJLNNBWWHJOU-UHFFFAOYSA-N
MW547.63 g/mol
LogP5.44
Rot. Bonds8

About N-[2-[cyclopropylmethyl-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

N-[2-[cyclopropylmethyl-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 67446495) has the molecular formula C25H24F3N5O2S2 and a molecular weight of 547.63 g/mol. Its IUPAC name is N-[2-[cyclopropylmethyl-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[cyclopropylmethyl-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID67446495
Molecular FormulaC25H24F3N5O2S2
Molecular Weight547.63 g/mol
Exact Mass547.13
IUPAC NameN-[2-[cyclopropylmethyl-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc(C(=O)N(CCNC(=O)c2c(C)nc3sccn23)CC2CC2)c(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C25H24F3N5O2S2/c1-14-20(33-10-11-36-24(33)30-14)22(34)29-8-9-32(13-16-6-7-16)23(35)19-21(37-15(2)31-19)17-4-3-5-18(12-17)25(26,27)28/h3-5,10-12,16H,6-9,13H2,1-2H3,(H,29,34)
InChIKeyBDGJLNNBWWHJOU-UHFFFAOYSA-N
XLogP5.44
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.63
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclopropylmethyl-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[2-[cyclopropylmethyl-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 67446495) is N-[2-[cyclopropylmethyl-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[2-[cyclopropylmethyl-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[2-[cyclopropylmethyl-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc(C(=O)N(CCNC(=O)c2c(C)nc3sccn23)CC2CC2)c(-c2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of N-[2-[cyclopropylmethyl-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is BDGJLNNBWWHJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O2S2/c1-14-20(33-10-11-36-24(33)30-14)22(34)29-8-9-32(13-16-6-7-16)23(35)19-21(37-15(2)31-19)17-4-3-5-18(12-17)25(26,27)28/h3-5,10-12,16H,6-9,13H2,1-2H3,(H,29,34).
What are the key properties of N-[2-[cyclopropylmethyl-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide?
N-[2-[cyclopropylmethyl-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 547.63 g/mol, XLogP of 5.44, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclopropylmethyl-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 67446495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).