5-chloro-N-(2-methylpyrimidin-5-yl)thiophene-2-carboxamide

C10H8ClN3OS — CID 112524186

IUPAC5-chloro-N-(2-methylpyrimidin-5-yl)thiophene-2-carboxamide
SMILESCc1ncc(NC(=O)c2ccc(Cl)s2)cn1
InChIInChI=1S/C10H8ClN3OS/c1-6-12-4-7(5-13-6)14-10(15)8-2-3-9(11)16-8/h2-5H,1H3,(H,14,15)
InChIKeyZYYZCXLBZMSLKV-UHFFFAOYSA-N
MW253.71 g/mol
LogP2.75
Rot. Bonds2

About 5-chloro-N-(2-methylpyrimidin-5-yl)thiophene-2-carboxamide

5-chloro-N-(2-methylpyrimidin-5-yl)thiophene-2-carboxamide (PubChem CID 112524186) has the molecular formula C10H8ClN3OS and a molecular weight of 253.71 g/mol. Its IUPAC name is 5-chloro-N-(2-methylpyrimidin-5-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-methylpyrimidin-5-yl)thiophene-2-carboxamide
PubChem CID112524186
Molecular FormulaC10H8ClN3OS
Molecular Weight253.71 g/mol
Exact Mass253.01
IUPAC Name5-chloro-N-(2-methylpyrimidin-5-yl)thiophene-2-carboxamide
SMILESCc1ncc(NC(=O)c2ccc(Cl)s2)cn1
InChIInChI=1S/C10H8ClN3OS/c1-6-12-4-7(5-13-6)14-10(15)8-2-3-9(11)16-8/h2-5H,1H3,(H,14,15)
InChIKeyZYYZCXLBZMSLKV-UHFFFAOYSA-N
XLogP2.75
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide
CID 53164697
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CID 122300304
5-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide
CID 31908021
5-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)thiophene-2-carboxamide
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4-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid
CID 43091739
5-chloro-N-(3,5-dichloro-4-hydroxyphenyl)thiophene-2-carboxamide
CID 82884384
N-(2-tert-butylpyrimidin-5-yl)-5-methylthiophene-2-carboxamide
CID 47416565
5-chloro-N-(3,4-diethoxyphenyl)thiophene-2-carboxamide
CID 26212642
5-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]thiophene-2-carboxamide
CID 17435952
5-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide
CID 31508122
5-chloro-N-[4-(methylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 4802431
3-[(5-chlorothiophene-2-carbonyl)amino]-1H-pyrazole-5-carboxylic acid
CID 64526265

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methylpyrimidin-5-yl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-methylpyrimidin-5-yl)thiophene-2-carboxamide (CID 112524186) is 5-chloro-N-(2-methylpyrimidin-5-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-methylpyrimidin-5-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-methylpyrimidin-5-yl)thiophene-2-carboxamide is Cc1ncc(NC(=O)c2ccc(Cl)s2)cn1.
What is the InChIKey of 5-chloro-N-(2-methylpyrimidin-5-yl)thiophene-2-carboxamide?
The InChIKey is ZYYZCXLBZMSLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3OS/c1-6-12-4-7(5-13-6)14-10(15)8-2-3-9(11)16-8/h2-5H,1H3,(H,14,15).
What are the key properties of 5-chloro-N-(2-methylpyrimidin-5-yl)thiophene-2-carboxamide?
5-chloro-N-(2-methylpyrimidin-5-yl)thiophene-2-carboxamide has a molecular weight of 253.71 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methylpyrimidin-5-yl)thiophene-2-carboxamide is sourced from PubChem (CID 112524186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).