N-(5-chloropyrimidin-2-yl)thiophene-2-carboxamide

C9H6ClN3OS — CID 1489117

IUPACN-(5-chloropyrimidin-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ncc(Cl)cn1)c1cccs1
InChIInChI=1S/C9H6ClN3OS/c10-6-4-11-9(12-5-6)13-8(14)7-2-1-3-15-7/h1-5H,(H,11,12,13,14)
InChIKeyOLJTZQQXWZPBML-UHFFFAOYSA-N
MW239.69 g/mol
LogP2.44
Rot. Bonds2

About N-(5-chloropyrimidin-2-yl)thiophene-2-carboxamide

N-(5-chloropyrimidin-2-yl)thiophene-2-carboxamide (PubChem CID 1489117) has the molecular formula C9H6ClN3OS and a molecular weight of 239.69 g/mol. Its IUPAC name is N-(5-chloropyrimidin-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloropyrimidin-2-yl)thiophene-2-carboxamide
PubChem CID1489117
Molecular FormulaC9H6ClN3OS
Molecular Weight239.69 g/mol
Exact Mass238.99
IUPAC NameN-(5-chloropyrimidin-2-yl)thiophene-2-carboxamide
SMILESO=C(Nc1ncc(Cl)cn1)c1cccs1
InChIInChI=1S/C9H6ClN3OS/c10-6-4-11-9(12-5-6)13-8(14)7-2-1-3-15-7/h1-5H,(H,11,12,13,14)
InChIKeyOLJTZQQXWZPBML-UHFFFAOYSA-N
XLogP2.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.69
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloropyrimidin-2-yl)thiophene-2-carboxamide?
The IUPAC name of N-(5-chloropyrimidin-2-yl)thiophene-2-carboxamide (CID 1489117) is N-(5-chloropyrimidin-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-(5-chloropyrimidin-2-yl)thiophene-2-carboxamide?
The canonical SMILES for N-(5-chloropyrimidin-2-yl)thiophene-2-carboxamide is O=C(Nc1ncc(Cl)cn1)c1cccs1.
What is the InChIKey of N-(5-chloropyrimidin-2-yl)thiophene-2-carboxamide?
The InChIKey is OLJTZQQXWZPBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3OS/c10-6-4-11-9(12-5-6)13-8(14)7-2-1-3-15-7/h1-5H,(H,11,12,13,14).
What are the key properties of N-(5-chloropyrimidin-2-yl)thiophene-2-carboxamide?
N-(5-chloropyrimidin-2-yl)thiophene-2-carboxamide has a molecular weight of 239.69 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropyrimidin-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 1489117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).