5-chloro-6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide

C14H16ClN3O2S — CID 91761022

IUPAC5-chloro-6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide
SMILESCC(C)c1nc(CCNC(=O)c2c[nH]c(=O)c(Cl)c2)cs1
InChIInChI=1S/C14H16ClN3O2S/c1-8(2)14-18-10(7-21-14)3-4-16-12(19)9-5-11(15)13(20)17-6-9/h5-8H,3-4H2,1-2H3,(H,16,19)(H,17,20)
InChIKeySWKVHAWWBBGPLK-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.58
Rot. Bonds5

About 5-chloro-6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide

5-chloro-6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide (PubChem CID 91761022) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 5-chloro-6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide
PubChem CID91761022
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name5-chloro-6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide
SMILESCC(C)c1nc(CCNC(=O)c2c[nH]c(=O)c(Cl)c2)cs1
InChIInChI=1S/C14H16ClN3O2S/c1-8(2)14-18-10(7-21-14)3-4-16-12(19)9-5-11(15)13(20)17-6-9/h5-8H,3-4H2,1-2H3,(H,16,19)(H,17,20)
InChIKeySWKVHAWWBBGPLK-UHFFFAOYSA-N
XLogP2.58
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-oxo-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyridine-3-carboxamide
CID 118784140
2-[2-[(5-chloro-6-oxo-1H-pyridine-3-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 86285890
5-acetyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiophene-3-carboxamide
CID 118770282
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CID 146075368
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CID 169411645
5-chloro-6-oxo-N-(2-phenylethyl)-1H-pyridine-3-carboxamide
CID 110852311
5-(methylsulfamoyl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]furan-3-carboxamide
CID 126784875
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CID 75452335
5-chloro-6-oxo-N-(3-pyridin-2-ylpropyl)-1H-pyridine-3-carboxamide
CID 77088849
2-amino-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 119869470
1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide
CID 56561374
2-[2-ethoxy-4-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylcarbamoyl]phenoxy]acetic acid
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide (CID 91761022) is 5-chloro-6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide is CC(C)c1nc(CCNC(=O)c2c[nH]c(=O)c(Cl)c2)cs1.
What is the InChIKey of 5-chloro-6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide?
The InChIKey is SWKVHAWWBBGPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-8(2)14-18-10(7-21-14)3-4-16-12(19)9-5-11(15)13(20)17-6-9/h5-8H,3-4H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of 5-chloro-6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide?
5-chloro-6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide has a molecular weight of 325.82 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-oxo-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 91761022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).