2-[acetyl(oxolan-2-ylmethyl)amino]-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide

C15H18N4O3S2 — CID 51043591

IUPAC2-[acetyl(oxolan-2-ylmethyl)amino]-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCC(=O)N(CC1CCCO1)c1nc(C)c(C(=O)Nc2nccs2)s1
InChIInChI=1S/C15H18N4O3S2/c1-9-12(13(21)18-14-16-5-7-23-14)24-15(17-9)19(10(2)20)8-11-4-3-6-22-11/h5,7,11H,3-4,6,8H2,1-2H3,(H,16,18,21)
InChIKeyRUCHYPYWJLUCLY-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.69
Rot. Bonds5

About 2-[acetyl(oxolan-2-ylmethyl)amino]-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide

2-[acetyl(oxolan-2-ylmethyl)amino]-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide (PubChem CID 51043591) has the molecular formula C15H18N4O3S2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-[acetyl(oxolan-2-ylmethyl)amino]-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[acetyl(oxolan-2-ylmethyl)amino]-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
PubChem CID51043591
Molecular FormulaC15H18N4O3S2
Molecular Weight366.47 g/mol
Exact Mass366.08
IUPAC Name2-[acetyl(oxolan-2-ylmethyl)amino]-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
SMILESCC(=O)N(CC1CCCO1)c1nc(C)c(C(=O)Nc2nccs2)s1
InChIInChI=1S/C15H18N4O3S2/c1-9-12(13(21)18-14-16-5-7-23-14)24-15(17-9)19(10(2)20)8-11-4-3-6-22-11/h5,7,11H,3-4,6,8H2,1-2H3,(H,16,18,21)
InChIKeyRUCHYPYWJLUCLY-UHFFFAOYSA-N
XLogP2.69
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[acetyl(oxolan-2-ylmethyl)amino]-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[acetyl(oxolan-2-ylmethyl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 51044802
2-[acetyl(3-methylbutyl)amino]-4-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]-1,3-thiazole-5-carboxamide
CID 51972966
ethyl 4-methyl-2-[[(2S)-oxolan-2-yl]methyl-propanoylamino]-1,3-thiazole-5-carboxylate
CID 51852810
2,2-dimethyl-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]propanamide
CID 4582238
N'-[[(2S)-oxolan-2-yl]methyl]-N'-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]-N-(1,3-thiazol-2-yl)butanediamide
CID 7224314
1-benzyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(1,3-thiazol-2-yl)urea
CID 94503654
3-methyl-N-(oxolan-2-ylmethyl)-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 4554297
2-[ethyl(oxolan-2-ylmethyl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 62765974
2-[[(2R)-oxolan-2-yl]methylsulfanyl]-N-(1,3-thiazol-2-yl)benzamide
CID 9043774
4-methyl-3-nitro-N-[[(2S)-oxolan-2-yl]methyl]-N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]benzamide
CID 7225517
N-(1,3-benzothiazol-2-yl)-4-methyl-N-(oxolan-2-ylmethyl)-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 42892188
N-(1,3-benzothiazol-2-yl)-4-methyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 47061565

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(oxolan-2-ylmethyl)amino]-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[acetyl(oxolan-2-ylmethyl)amino]-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide (CID 51043591) is 2-[acetyl(oxolan-2-ylmethyl)amino]-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[acetyl(oxolan-2-ylmethyl)amino]-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[acetyl(oxolan-2-ylmethyl)amino]-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide is CC(=O)N(CC1CCCO1)c1nc(C)c(C(=O)Nc2nccs2)s1.
What is the InChIKey of 2-[acetyl(oxolan-2-ylmethyl)amino]-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is RUCHYPYWJLUCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S2/c1-9-12(13(21)18-14-16-5-7-23-14)24-15(17-9)19(10(2)20)8-11-4-3-6-22-11/h5,7,11H,3-4,6,8H2,1-2H3,(H,16,18,21).
What are the key properties of 2-[acetyl(oxolan-2-ylmethyl)amino]-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide?
2-[acetyl(oxolan-2-ylmethyl)amino]-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(oxolan-2-ylmethyl)amino]-4-methyl-N-(1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51043591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).