6-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide

C11H10ClN3OS — CID 63612917

IUPAC6-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(Cl)nc1)c1nccs1
InChIInChI=1S/C11H10ClN3OS/c1-7(11-13-4-5-17-11)15-10(16)8-2-3-9(12)14-6-8/h2-7H,1H3,(H,15,16)
InChIKeyOEJXTYFNAAUZQE-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.68
Rot. Bonds3

About 6-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide

6-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide (PubChem CID 63612917) has the molecular formula C11H10ClN3OS and a molecular weight of 267.74 g/mol. Its IUPAC name is 6-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
PubChem CID63612917
Molecular FormulaC11H10ClN3OS
Molecular Weight267.74 g/mol
Exact Mass267.02
IUPAC Name6-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
SMILESCC(NC(=O)c1ccc(Cl)nc1)c1nccs1
InChIInChI=1S/C11H10ClN3OS/c1-7(11-13-4-5-17-11)15-10(16)8-2-3-9(12)14-6-8/h2-7H,1H3,(H,15,16)
InChIKeyOEJXTYFNAAUZQE-UHFFFAOYSA-N
XLogP2.68
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,6-dichloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 63612580
6-chloro-N-(1-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 42907558
5-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyrazine-2-carboxamide
CID 107257634
3,4-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 143210996
6-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 9218589
6-chloro-N-[(2S)-3-methylbutan-2-yl]pyridine-3-carboxamide
CID 28880213
N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 95153133
6-chloro-N-[1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 42904939
3-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 107030826
6-chloro-N-[1-(3-hydroxyphenyl)ethyl]pyridine-3-carboxamide
CID 61040520
6-chloro-N-[(1R)-1-(2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 26618870
6-[(3-fluorophenoxy)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 54674404

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide (CID 63612917) is 6-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide is CC(NC(=O)c1ccc(Cl)nc1)c1nccs1.
What is the InChIKey of 6-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is OEJXTYFNAAUZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3OS/c1-7(11-13-4-5-17-11)15-10(16)8-2-3-9(12)14-6-8/h2-7H,1H3,(H,15,16).
What are the key properties of 6-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide?
6-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 267.74 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 63612917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).