3-[2-(ethylamino)-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C25H26N4O3S — CID 42832949

IUPAC3-[2-(ethylamino)-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCNC(=O)CC1=CSC2=NC(C)=C(C(=O)Nc3ccccc3)C(c3cccc(OC)c3)N12
InChIInChI=1S/C25H26N4O3S/c1-4-26-21(30)14-19-15-33-25-27-16(2)22(24(31)28-18-10-6-5-7-11-18)23(29(19)25)17-9-8-12-20(13-17)32-3/h5-13,15,23H,4,14H2,1-3H3,(H,26,30)(H,28,31)
InChIKeyJPLVUCUQJPYWEU-UHFFFAOYSA-N
MW462.58 g/mol
LogP4.43
Rot. Bonds7

About 3-[2-(ethylamino)-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

3-[2-(ethylamino)-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 42832949) has the molecular formula C25H26N4O3S and a molecular weight of 462.58 g/mol. Its IUPAC name is 3-[2-(ethylamino)-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name3-[2-(ethylamino)-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID42832949
Molecular FormulaC25H26N4O3S
Molecular Weight462.58 g/mol
Exact Mass462.17
IUPAC Name3-[2-(ethylamino)-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCNC(=O)CC1=CSC2=NC(C)=C(C(=O)Nc3ccccc3)C(c3cccc(OC)c3)N12
InChIInChI=1S/C25H26N4O3S/c1-4-26-21(30)14-19-15-33-25-27-16(2)22(24(31)28-18-10-6-5-7-11-18)23(29(19)25)17-9-8-12-20(13-17)32-3/h5-13,15,23H,4,14H2,1-3H3,(H,26,30)(H,28,31)
InChIKeyJPLVUCUQJPYWEU-UHFFFAOYSA-N
XLogP4.43
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-methoxyphenyl)-7-methyl-3-[2-oxo-2-(1-phenylethylamino)ethyl]-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 42832948
3-[2-(butan-2-ylamino)-2-oxoethyl]-5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 42832977
(5S)-5-(3-methoxyphenyl)-7-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 98432046
methyl 3-[2-(3-methoxyanilino)-2-oxoethyl]-7-methyl-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 46112334
2-methoxyethyl (5S)-3-[2-(ethylamino)-2-oxoethyl]-7-methyl-5-(3-phenoxyphenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98357036
methyl 3-[2-(ethylamino)-2-oxoethyl]-7-methyl-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 42827904
(5R)-3-[2-(benzylamino)-2-oxoethyl]-N,N-diethyl-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 98358425
5-(3-methoxyphenyl)-N-(4-methoxyphenyl)-7-methyl-3-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 42832978
ethyl (5R)-5-(3-methoxyphenyl)-7-methyl-3-[2-(4-methylanilino)-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98154807
(5S)-3-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]-7-methyl-5-(3-methylphenyl)-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 98274553
(5S)-3-[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl]-7-methyl-5-(3-methylphenyl)-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 98274551
methyl (5R)-3-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98154629

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of 3-[2-(ethylamino)-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 42832949) is 3-[2-(ethylamino)-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 3-[2-(ethylamino)-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for 3-[2-(ethylamino)-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCNC(=O)CC1=CSC2=NC(C)=C(C(=O)Nc3ccccc3)C(c3cccc(OC)c3)N12.
What is the InChIKey of 3-[2-(ethylamino)-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is JPLVUCUQJPYWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3S/c1-4-26-21(30)14-19-15-33-25-27-16(2)22(24(31)28-18-10-6-5-7-11-18)23(29(19)25)17-9-8-12-20(13-17)32-3/h5-13,15,23H,4,14H2,1-3H3,(H,26,30)(H,28,31).
What are the key properties of 3-[2-(ethylamino)-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
3-[2-(ethylamino)-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 462.58 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)-2-oxoethyl]-5-(3-methoxyphenyl)-7-methyl-N-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 42832949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).