6-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpyridine-3-carboxamide

C14H16ClN3OS — CID 56803309

IUPAC6-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpyridine-3-carboxamide
SMILESCc1nc(C)c(C(C)N(C)C(=O)c2ccc(Cl)nc2)s1
InChIInChI=1S/C14H16ClN3OS/c1-8-13(20-10(3)17-8)9(2)18(4)14(19)11-5-6-12(15)16-7-11/h5-7,9H,1-4H3
InChIKeyIMZJGZAMPKFKBU-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.64
Rot. Bonds3

About 6-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpyridine-3-carboxamide

6-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpyridine-3-carboxamide (PubChem CID 56803309) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is 6-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpyridine-3-carboxamide
PubChem CID56803309
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name6-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpyridine-3-carboxamide
SMILESCc1nc(C)c(C(C)N(C)C(=O)c2ccc(Cl)nc2)s1
InChIInChI=1S/C14H16ClN3OS/c1-8-13(20-10(3)17-8)9(2)18(4)14(19)11-5-6-12(15)16-7-11/h5-7,9H,1-4H3
InChIKeyIMZJGZAMPKFKBU-UHFFFAOYSA-N
XLogP3.64
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpyridine-3-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-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-6-chloro-N-methylpyridine-3-carboxamide
CID 9406160
N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylquinoxaline-2-carboxamide
CID 95614602
N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-3-(propanoylamino)benzamide
CID 95614599
4-[3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylamino]-3-oxopropyl]benzoic acid
CID 119184527
2-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylacetamide
CID 119881804
6-chloro-N,N-dimethylpyridine-3-carboxamide;6-chloropyridine-3-carbonyl chloride
CID 159595421
3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylbutanamide
CID 119881810
2-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976019
6-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridine-3-carboxamide
CID 112551556
3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpropanamide;dihydrochloride
CID 119881817
6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 61073901
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methyl-2-quinolin-8-ylacetamide
CID 138038549

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpyridine-3-carboxamide (CID 56803309) is 6-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpyridine-3-carboxamide is Cc1nc(C)c(C(C)N(C)C(=O)c2ccc(Cl)nc2)s1.
What is the InChIKey of 6-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpyridine-3-carboxamide?
The InChIKey is IMZJGZAMPKFKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c1-8-13(20-10(3)17-8)9(2)18(4)14(19)11-5-6-12(15)16-7-11/h5-7,9H,1-4H3.
What are the key properties of 6-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpyridine-3-carboxamide?
6-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpyridine-3-carboxamide has a molecular weight of 309.82 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 56803309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).