N-[2-(azepan-1-yl)pyrimidin-5-yl]thiophene-2-carboxamide

C15H18N4OS — CID 53164774

IUPACN-[2-(azepan-1-yl)pyrimidin-5-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cnc(N2CCCCCC2)nc1)c1cccs1
InChIInChI=1S/C15H18N4OS/c20-14(13-6-5-9-21-13)18-12-10-16-15(17-11-12)19-7-3-1-2-4-8-19/h5-6,9-11H,1-4,7-8H2,(H,18,20)
InChIKeyIXGUHXAOHBMGOF-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.17
Rot. Bonds3

About N-[2-(azepan-1-yl)pyrimidin-5-yl]thiophene-2-carboxamide

N-[2-(azepan-1-yl)pyrimidin-5-yl]thiophene-2-carboxamide (PubChem CID 53164774) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)pyrimidin-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)pyrimidin-5-yl]thiophene-2-carboxamide
PubChem CID53164774
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC NameN-[2-(azepan-1-yl)pyrimidin-5-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cnc(N2CCCCCC2)nc1)c1cccs1
InChIInChI=1S/C15H18N4OS/c20-14(13-6-5-9-21-13)18-12-10-16-15(17-11-12)19-7-3-1-2-4-8-19/h5-6,9-11H,1-4,7-8H2,(H,18,20)
InChIKeyIXGUHXAOHBMGOF-UHFFFAOYSA-N
XLogP3.17
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-((5-Iodo-4-((3-((2-thienylcarbonyl)amino)propyl)amino)-2-pyrimidinyl)amino)phenyl)-1-pyrrolidinecarboxamide
CID 10077147
[4-(5-Bromopyrimidin-2-yl)piperazino](2-thienyl)methanone
CID 2802467
4-Pyrimidin-2-ylpiperazinyl 2-thienyl ketone
CID 727062
2-{4-[(5-Methyl-3-thienyl)carbonyl]-1-piperazinyl}pyrimidine
CID 1246450
5-methyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 2431997
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 2434569
2-(Ethylamino)-8-phenyl-6-thiophen-2-ylpteridin-7-one
CID 3232935
2-Piperazin-1-yl-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3233205
8-Cyclopropyl-2-piperazin-1-yl-6-thiophen-2-ylpteridin-7-one
CID 3233995
2-(Ethylamino)-8-methyl-6-thiophen-2-ylpteridin-7-one
CID 3234227
2-Anilino-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3235068
2-(Dimethylamino)-6-methyl-8-(thiophen-2-ylmethyl)pteridin-7-one
CID 3235142

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)pyrimidin-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(azepan-1-yl)pyrimidin-5-yl]thiophene-2-carboxamide (CID 53164774) is N-[2-(azepan-1-yl)pyrimidin-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)pyrimidin-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)pyrimidin-5-yl]thiophene-2-carboxamide is O=C(Nc1cnc(N2CCCCCC2)nc1)c1cccs1.
What is the InChIKey of N-[2-(azepan-1-yl)pyrimidin-5-yl]thiophene-2-carboxamide?
The InChIKey is IXGUHXAOHBMGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c20-14(13-6-5-9-21-13)18-12-10-16-15(17-11-12)19-7-3-1-2-4-8-19/h5-6,9-11H,1-4,7-8H2,(H,18,20).
What are the key properties of N-[2-(azepan-1-yl)pyrimidin-5-yl]thiophene-2-carboxamide?
N-[2-(azepan-1-yl)pyrimidin-5-yl]thiophene-2-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)pyrimidin-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 53164774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).