N-[2-methyl-5-[(2-methylsulfanyl-3-pyridinyl)carbamoyl]phenyl]-1,2-thiazole-5-carboxamide

C18H16N4O2S2 — CID 172657474

IUPACN-[2-methyl-5-[(2-methylsulfanyl-3-pyridinyl)carbamoyl]phenyl]-1,2-thiazole-5-carboxamide
SMILESCSc1ncccc1NC(=O)c1ccc(C)c(NC(=O)c2ccns2)c1
InChIInChI=1S/C18H16N4O2S2/c1-11-5-6-12(10-14(11)22-17(24)15-7-9-20-26-15)16(23)21-13-4-3-8-19-18(13)25-2/h3-10H,1-2H3,(H,21,23)(H,22,24)
InChIKeyJNEXJZZEIDUORR-UHFFFAOYSA-N
MW384.49 g/mol
LogP4.07
Rot. Bonds5

About N-[2-methyl-5-[(2-methylsulfanyl-3-pyridinyl)carbamoyl]phenyl]-1,2-thiazole-5-carboxamide

N-[2-methyl-5-[(2-methylsulfanyl-3-pyridinyl)carbamoyl]phenyl]-1,2-thiazole-5-carboxamide (PubChem CID 172657474) has the molecular formula C18H16N4O2S2 and a molecular weight of 384.49 g/mol. Its IUPAC name is N-[2-methyl-5-[(2-methylsulfanyl-3-pyridinyl)carbamoyl]phenyl]-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-[(2-methylsulfanyl-3-pyridinyl)carbamoyl]phenyl]-1,2-thiazole-5-carboxamide
PubChem CID172657474
Molecular FormulaC18H16N4O2S2
Molecular Weight384.49 g/mol
Exact Mass384.07
IUPAC NameN-[2-methyl-5-[(2-methylsulfanyl-3-pyridinyl)carbamoyl]phenyl]-1,2-thiazole-5-carboxamide
SMILESCSc1ncccc1NC(=O)c1ccc(C)c(NC(=O)c2ccns2)c1
InChIInChI=1S/C18H16N4O2S2/c1-11-5-6-12(10-14(11)22-17(24)15-7-9-20-26-15)16(23)21-13-4-3-8-19-18(13)25-2/h3-10H,1-2H3,(H,21,23)(H,22,24)
InChIKeyJNEXJZZEIDUORR-UHFFFAOYSA-N
XLogP4.07
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-methyl-5-[(2-methylsulfanyl-3-pyridinyl)carbamoyl]phenyl]-1,2-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-(2,3-dimethylphenyl)-1,2-thiazole-5-carboxamide
CID 110692180
3-benzamido-N-[2-(2-methoxyethoxy)-3-pyridinyl]-4-methylbenzamide
CID 56500125
N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 142611651
3-[(2-methoxypyridine-3-carbonyl)amino]-4-methylbenzoic acid
CID 43350893
N-(2-ethoxyphenyl)-1,2-thiazole-5-carboxamide
CID 110692203
3-bromo-N-(2-bromo-3-pyridinyl)-4-methylbenzamide
CID 103819269
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 3985764
6-methyl-N-[2-methyl-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 46439271
4-methyl-3-(pyridine-2-carbonylamino)benzoic acid
CID 16771811
ethyl 2-(1,2-thiazole-5-carbonylamino)benzoate
CID 110692261
4-(ethylamino)-3-methyl-N-(2-methyl-3-pyridinyl)benzamide
CID 79043080
N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 8866395

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[(2-methylsulfanyl-3-pyridinyl)carbamoyl]phenyl]-1,2-thiazole-5-carboxamide?
The IUPAC name of N-[2-methyl-5-[(2-methylsulfanyl-3-pyridinyl)carbamoyl]phenyl]-1,2-thiazole-5-carboxamide (CID 172657474) is N-[2-methyl-5-[(2-methylsulfanyl-3-pyridinyl)carbamoyl]phenyl]-1,2-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-methyl-5-[(2-methylsulfanyl-3-pyridinyl)carbamoyl]phenyl]-1,2-thiazole-5-carboxamide?
The canonical SMILES for N-[2-methyl-5-[(2-methylsulfanyl-3-pyridinyl)carbamoyl]phenyl]-1,2-thiazole-5-carboxamide is CSc1ncccc1NC(=O)c1ccc(C)c(NC(=O)c2ccns2)c1.
What is the InChIKey of N-[2-methyl-5-[(2-methylsulfanyl-3-pyridinyl)carbamoyl]phenyl]-1,2-thiazole-5-carboxamide?
The InChIKey is JNEXJZZEIDUORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S2/c1-11-5-6-12(10-14(11)22-17(24)15-7-9-20-26-15)16(23)21-13-4-3-8-19-18(13)25-2/h3-10H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-methyl-5-[(2-methylsulfanyl-3-pyridinyl)carbamoyl]phenyl]-1,2-thiazole-5-carboxamide?
N-[2-methyl-5-[(2-methylsulfanyl-3-pyridinyl)carbamoyl]phenyl]-1,2-thiazole-5-carboxamide has a molecular weight of 384.49 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[(2-methylsulfanyl-3-pyridinyl)carbamoyl]phenyl]-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 172657474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).