4-methyl-2-(N-methylanilino)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-1,3-thiazole-5-carboxamide

C21H23N3OS2 — CID 30142017

IUPAC4-methyl-2-(N-methylanilino)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCSc1ccc([C@@H](C)NC(=O)c2sc(N(C)c3ccccc3)nc2C)cc1
InChIInChI=1S/C21H23N3OS2/c1-14(16-10-12-18(26-4)13-11-16)22-20(25)19-15(2)23-21(27-19)24(3)17-8-6-5-7-9-17/h5-14H,1-4H3,(H,22,25)/t14-/m1/s1
InChIKeyMTLMHOQIZVPCAS-CQSZACIVSA-N
MW397.57 g/mol
LogP5.43
Rot. Bonds6

About 4-methyl-2-(N-methylanilino)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-1,3-thiazole-5-carboxamide

4-methyl-2-(N-methylanilino)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 30142017) has the molecular formula C21H23N3OS2 and a molecular weight of 397.57 g/mol. Its IUPAC name is 4-methyl-2-(N-methylanilino)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-(N-methylanilino)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID30142017
Molecular FormulaC21H23N3OS2
Molecular Weight397.57 g/mol
Exact Mass397.13
IUPAC Name4-methyl-2-(N-methylanilino)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCSc1ccc([C@@H](C)NC(=O)c2sc(N(C)c3ccccc3)nc2C)cc1
InChIInChI=1S/C21H23N3OS2/c1-14(16-10-12-18(26-4)13-11-16)22-20(25)19-15(2)23-21(27-19)24(3)17-8-6-5-7-9-17/h5-14H,1-4H3,(H,22,25)/t14-/m1/s1
InChIKeyMTLMHOQIZVPCAS-CQSZACIVSA-N
XLogP5.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.57
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-(N-methylanilino)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-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

N-[(1R)-1-(4-bromophenyl)ethyl]-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30141968
4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134205
N-(2-methoxyethyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134237
N-(2,6-dichlorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134324
4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 9123977
4-methyl-2-(methylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110386327
N-(3,4-dimethylphenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30134294
4-methyl-2-(N-methylanilino)-N-pentyl-1,3-thiazole-5-carboxamide
CID 30141824
N-(3-acetamidophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30141884
N-(2,5-difluorophenyl)-4-methyl-2-(N-methylanilino)-1,3-thiazole-5-carboxamide
CID 30142043
2-(methoxymethyl)-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110374805
4-methyl-2-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 30134336

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(N-methylanilino)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-(N-methylanilino)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-1,3-thiazole-5-carboxamide (CID 30142017) is 4-methyl-2-(N-methylanilino)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-(N-methylanilino)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-(N-methylanilino)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-1,3-thiazole-5-carboxamide is CSc1ccc([C@@H](C)NC(=O)c2sc(N(C)c3ccccc3)nc2C)cc1.
What is the InChIKey of 4-methyl-2-(N-methylanilino)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is MTLMHOQIZVPCAS-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23N3OS2/c1-14(16-10-12-18(26-4)13-11-16)22-20(25)19-15(2)23-21(27-19)24(3)17-8-6-5-7-9-17/h5-14H,1-4H3,(H,22,25)/t14-/m1/s1.
What are the key properties of 4-methyl-2-(N-methylanilino)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-1,3-thiazole-5-carboxamide?
4-methyl-2-(N-methylanilino)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 397.57 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(N-methylanilino)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 30142017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).