2-(azetidin-3-yl)-N-[(3-chloro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide

C13H13ClN4OS — CID 129052425

IUPAC2-(azetidin-3-yl)-N-[(3-chloro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ncccc1Cl)c1csc(C2CNC2)n1
InChIInChI=1S/C13H13ClN4OS/c14-9-2-1-3-16-10(9)6-17-12(19)11-7-20-13(18-11)8-4-15-5-8/h1-3,7-8,15H,4-6H2,(H,17,19)
InChIKeyDTAUAUVGHCRSIH-UHFFFAOYSA-N
MW308.79 g/mol
LogP1.81
Rot. Bonds4

About 2-(azetidin-3-yl)-N-[(3-chloro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide

2-(azetidin-3-yl)-N-[(3-chloro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 129052425) has the molecular formula C13H13ClN4OS and a molecular weight of 308.79 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[(3-chloro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[(3-chloro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID129052425
Molecular FormulaC13H13ClN4OS
Molecular Weight308.79 g/mol
Exact Mass308.05
IUPAC Name2-(azetidin-3-yl)-N-[(3-chloro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ncccc1Cl)c1csc(C2CNC2)n1
InChIInChI=1S/C13H13ClN4OS/c14-9-2-1-3-16-10(9)6-17-12(19)11-7-20-13(18-11)8-4-15-5-8/h1-3,7-8,15H,4-6H2,(H,17,19)
InChIKeyDTAUAUVGHCRSIH-UHFFFAOYSA-N
XLogP1.81
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azetidin-3-yl)-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 129052163
N-[2-(2-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3791349
N-[(2,5-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-thiazole-4-carboxamide
CID 3846497
2-[(5S)-3-[2-(1H-benzimidazol-2-yl)ethyl]-3-azabicyclo[3.1.0]hexan-6-yl]-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 145298036
N-[2-(3-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3842964
N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3854076
N-[(3-fluoro-2-pyridinyl)methyl]-2-[1-[3-(2-nitroanilino)-3-oxopropyl]pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
CID 129067037
N-[(3-chloro-2-pyridinyl)methyl]-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170505961
2-cyclopropyl-1,3-thiazole-4-carbohydrazide
CID 131063820
6-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 63306782
N-[(2-chlorophenyl)methyl]-2-(2-pyrrolidin-1-yl-4-pyridinyl)-1,3-thiazole-4-carboxamide
CID 53036726
2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 3802383

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[(3-chloro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[(3-chloro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide (CID 129052425) is 2-(azetidin-3-yl)-N-[(3-chloro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[(3-chloro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[(3-chloro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide is O=C(NCc1ncccc1Cl)c1csc(C2CNC2)n1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[(3-chloro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DTAUAUVGHCRSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4OS/c14-9-2-1-3-16-10(9)6-17-12(19)11-7-20-13(18-11)8-4-15-5-8/h1-3,7-8,15H,4-6H2,(H,17,19).
What are the key properties of 2-(azetidin-3-yl)-N-[(3-chloro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide?
2-(azetidin-3-yl)-N-[(3-chloro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 308.79 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[(3-chloro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 129052425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).