N-(3-bromo-2-pyridinyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide

C11H10BrN3OS — CID 75503418

IUPACN-(3-bromo-2-pyridinyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(C)c1ncccc1Br
InChIInChI=1S/C11H10BrN3OS/c1-7-9(17-6-14-7)11(16)15(2)10-8(12)4-3-5-13-10/h3-6H,1-2H3
InChIKeyIXRDOMDYMYBJKE-UHFFFAOYSA-N
MW312.19 g/mol
LogP2.89
Rot. Bonds2

About N-(3-bromo-2-pyridinyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide

N-(3-bromo-2-pyridinyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 75503418) has the molecular formula C11H10BrN3OS and a molecular weight of 312.19 g/mol. Its IUPAC name is N-(3-bromo-2-pyridinyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-2-pyridinyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID75503418
Molecular FormulaC11H10BrN3OS
Molecular Weight312.19 g/mol
Exact Mass310.97
IUPAC NameN-(3-bromo-2-pyridinyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(C)c1ncccc1Br
InChIInChI=1S/C11H10BrN3OS/c1-7-9(17-6-14-7)11(16)15(2)10-8(12)4-3-5-13-10/h3-6H,1-2H3
InChIKeyIXRDOMDYMYBJKE-UHFFFAOYSA-N
XLogP2.89
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(3-bromo-2-pyridinyl)-N,4-dimethyl-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

5-bromo-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 2477024
4-bromo-N-methyl-N-(4-(pyridin-4-yl)thiazol-2-yl)benzamide
CID 45486764
2-[2-[(Cyclopropylcarbonyl)amino]-4-pyridinyl]-4-methyl-5-thiazolecarboxamide
CID 118732131
1-[4-Methyl-2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]ethanone hydrobromide
CID 6602572
4-methyl-N-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 47035670
Ethanone, 1-[4-methyl-2-(2-pyridinylamino)-5-thiazolyl]-
CID 616262
N,4-dimethyl-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-1,3-thiazole-5-carboxamide
CID 53558201
N-(5-bromo-2-pyridinyl)-N-methyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 53562822
N-(5-bromo-2-pyridinyl)-N-methyl-4-propan-2-yl-1,3-thiazole-2-carboxamide
CID 53601175
1-[4-(5-Bromo-2-pyridinyl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 56798714
1-[(4-Ethyl-2-methyl-1,3-thiazol-5-yl)carbonyl]-4-(3-methyl-2-pyridinyl)piperazine
CID 70712734
1-[(2-Methoxy-4-methyl-1,3-thiazol-5-yl)carbonyl]-4-(3-methyl-2-pyridinyl)piperazine
CID 70753762

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-2-pyridinyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-bromo-2-pyridinyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (CID 75503418) is N-(3-bromo-2-pyridinyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-bromo-2-pyridinyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-bromo-2-pyridinyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)N(C)c1ncccc1Br.
What is the InChIKey of N-(3-bromo-2-pyridinyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is IXRDOMDYMYBJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3OS/c1-7-9(17-6-14-7)11(16)15(2)10-8(12)4-3-5-13-10/h3-6H,1-2H3.
What are the key properties of N-(3-bromo-2-pyridinyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
N-(3-bromo-2-pyridinyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 312.19 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-2-pyridinyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75503418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).