N-[2-(3-chlorophenyl)pyrimidin-5-yl]thiophene-2-carboxamide

C15H10ClN3OS — CID 87050770

IUPACN-[2-(3-chlorophenyl)pyrimidin-5-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cnc(-c2cccc(Cl)c2)nc1)c1cccs1
InChIInChI=1S/C15H10ClN3OS/c16-11-4-1-3-10(7-11)14-17-8-12(9-18-14)19-15(20)13-5-2-6-21-13/h1-9H,(H,19,20)
InChIKeyDODNXVNDOXBDNL-UHFFFAOYSA-N
MW315.79 g/mol
LogP4.11
Rot. Bonds3

About N-[2-(3-chlorophenyl)pyrimidin-5-yl]thiophene-2-carboxamide

N-[2-(3-chlorophenyl)pyrimidin-5-yl]thiophene-2-carboxamide (PubChem CID 87050770) has the molecular formula C15H10ClN3OS and a molecular weight of 315.79 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)pyrimidin-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)pyrimidin-5-yl]thiophene-2-carboxamide
PubChem CID87050770
Molecular FormulaC15H10ClN3OS
Molecular Weight315.79 g/mol
Exact Mass315.02
IUPAC NameN-[2-(3-chlorophenyl)pyrimidin-5-yl]thiophene-2-carboxamide
SMILESO=C(Nc1cnc(-c2cccc(Cl)c2)nc1)c1cccs1
InChIInChI=1S/C15H10ClN3OS/c16-11-4-1-3-10(7-11)14-17-8-12(9-18-14)19-15(20)13-5-2-6-21-13/h1-9H,(H,19,20)
InChIKeyDODNXVNDOXBDNL-UHFFFAOYSA-N
XLogP4.11
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.79
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(3-chloroanilino)-3-pyridinyl]thiophene-2-carboxamide
CID 113018501
N-[2-(3-chlorophenyl)pyrimidin-5-yl]-2,5-difluorobenzamide
CID 87050753
2-chloro-N-[2-(3-chlorophenyl)pyrimidin-5-yl]-4-fluorobenzamide
CID 87050750
N-[3-[(2,4-dichlorobenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 2280085
N-[4-[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl]oxyphenyl]thiophene-2-carboxamide
CID 1218507
N-(2-ethoxypyrimidin-5-yl)thiophene-2-carboxamide
CID 122301798
[2-(3-chloroanilino)-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 7491904
3-(3-chlorophenyl)-N-[2-(thiophene-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 17083702
N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113033560
N-(5-chloropyrazin-2-yl)thiophene-2-carboxamide
CID 104964135
2-(2-chlorophenyl)-N-[2-(3-hydroxyphenyl)pyrimidin-5-yl]-1,3-thiazole-5-carboxamide
CID 56520770
5-bromo-N-(2-phenylpyrimidin-5-yl)thiophene-2-carboxamide
CID 46439802

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)pyrimidin-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)pyrimidin-5-yl]thiophene-2-carboxamide (CID 87050770) is N-[2-(3-chlorophenyl)pyrimidin-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)pyrimidin-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)pyrimidin-5-yl]thiophene-2-carboxamide is O=C(Nc1cnc(-c2cccc(Cl)c2)nc1)c1cccs1.
What is the InChIKey of N-[2-(3-chlorophenyl)pyrimidin-5-yl]thiophene-2-carboxamide?
The InChIKey is DODNXVNDOXBDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3OS/c16-11-4-1-3-10(7-11)14-17-8-12(9-18-14)19-15(20)13-5-2-6-21-13/h1-9H,(H,19,20).
What are the key properties of N-[2-(3-chlorophenyl)pyrimidin-5-yl]thiophene-2-carboxamide?
N-[2-(3-chlorophenyl)pyrimidin-5-yl]thiophene-2-carboxamide has a molecular weight of 315.79 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)pyrimidin-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 87050770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).