5-chloro-N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide

C14H15ClN4OS — CID 53164697

IUPAC5-chloro-N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1cnc(N2CCCCC2)nc1)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClN4OS/c15-12-5-4-11(21-12)13(20)18-10-8-16-14(17-9-10)19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7H2,(H,18,20)
InChIKeyMDJGRQNAEDFRTF-UHFFFAOYSA-N
MW322.82 g/mol
LogP3.43
Rot. Bonds3

About 5-chloro-N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide

5-chloro-N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide (PubChem CID 53164697) has the molecular formula C14H15ClN4OS and a molecular weight of 322.82 g/mol. Its IUPAC name is 5-chloro-N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide
PubChem CID53164697
Molecular FormulaC14H15ClN4OS
Molecular Weight322.82 g/mol
Exact Mass322.07
IUPAC Name5-chloro-N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide
SMILESO=C(Nc1cnc(N2CCCCC2)nc1)c1ccc(Cl)s1
InChIInChI=1S/C14H15ClN4OS/c15-12-5-4-11(21-12)13(20)18-10-8-16-14(17-9-10)19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7H2,(H,18,20)
InChIKeyMDJGRQNAEDFRTF-UHFFFAOYSA-N
XLogP3.43
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]thiophene-2-carboxamide
CID 53168005
5-chloro-N-(2-methylpyrimidin-5-yl)thiophene-2-carboxamide
CID 112524186
5-chloro-N-(2-pyrazol-1-ylpyrimidin-5-yl)thiophene-2-carboxamide
CID 122300304
N-[2-(azepan-1-yl)pyrimidin-5-yl]-6-chloropyridine-3-carboxamide
CID 53164742
N-[2-(azepan-1-yl)pyrimidin-5-yl]pyrazine-2-carboxamide
CID 53164765
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-4-carboxamide
CID 71789978
4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014756
N-(3,4-dichlorophenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250257
2-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53014761
N-(2-piperidin-1-ylpyrimidin-5-yl)isoquinoline-1-carboxamide
CID 122298631
5-chloro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53164660
2,6-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53164645

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide (CID 53164697) is 5-chloro-N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide is O=C(Nc1cnc(N2CCCCC2)nc1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide?
The InChIKey is MDJGRQNAEDFRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4OS/c15-12-5-4-11(21-12)13(20)18-10-8-16-14(17-9-10)19-6-2-1-3-7-19/h4-5,8-9H,1-3,6-7H2,(H,18,20).
What are the key properties of 5-chloro-N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide?
5-chloro-N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide has a molecular weight of 322.82 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 53164697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).