2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-carboxamide

C10H6Cl3N3OS — CID 114053375

IUPAC2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-carboxamide
SMILESCc1cc(Cl)nc(NC(=O)c2cc(Cl)sc2Cl)n1
InChIInChI=1S/C10H6Cl3N3OS/c1-4-2-6(11)15-10(14-4)16-9(17)5-3-7(12)18-8(5)13/h2-3H,1H3,(H,14,15,16,17)
InChIKeyBUOFYDUFPNIWCA-UHFFFAOYSA-N
MW322.60 g/mol
LogP4.06
Rot. Bonds2

About 2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-carboxamide

2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-carboxamide (PubChem CID 114053375) has the molecular formula C10H6Cl3N3OS and a molecular weight of 322.60 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-carboxamide
PubChem CID114053375
Molecular FormulaC10H6Cl3N3OS
Molecular Weight322.60 g/mol
Exact Mass320.93
IUPAC Name2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-carboxamide
SMILESCc1cc(Cl)nc(NC(=O)c2cc(Cl)sc2Cl)n1
InChIInChI=1S/C10H6Cl3N3OS/c1-4-2-6(11)15-10(14-4)16-9(17)5-3-7(12)18-8(5)13/h2-3H,1H3,(H,14,15,16,17)
InChIKeyBUOFYDUFPNIWCA-UHFFFAOYSA-N
XLogP4.06
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.60
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-chloro-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide
CID 114052927
2-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)-5-iodobenzamide
CID 114052924
2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-sulfonamide
CID 114053568
2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)pyridine-4-carboxamide
CID 114917203
2,5-dichloro-N-(4,6-dimethylpyrimidin-2-yl)benzamide
CID 670750
3-bromo-N-(4-chloro-6-methylpyrimidin-2-yl)benzamide
CID 114052917
4-amino-N-(4-chloro-6-methylpyrimidin-2-yl)-1H-pyrrole-2-carboxamide
CID 114052776
2,5-dibromo-N-(4,6-dimethylpyrimidin-2-yl)thiophene-3-carboxamide
CID 107962014
N-(4-chloro-6-methylpyrimidin-2-yl)-2-fluoro-6-hydroxybenzamide
CID 114053411
2,5-dichloro-N-(2-chloro-5-methyl-3-pyridinyl)thiophene-3-carboxamide
CID 102979594
1-(4-chloro-6-methylpyrimidin-2-yl)-3-(4-methylphenyl)urea
CID 122507242
N-(5-amino-4-methyl-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
CID 107959426

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-carboxamide (CID 114053375) is 2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-carboxamide is Cc1cc(Cl)nc(NC(=O)c2cc(Cl)sc2Cl)n1.
What is the InChIKey of 2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-carboxamide?
The InChIKey is BUOFYDUFPNIWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl3N3OS/c1-4-2-6(11)15-10(14-4)16-9(17)5-3-7(12)18-8(5)13/h2-3H,1H3,(H,14,15,16,17).
What are the key properties of 2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-carboxamide?
2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-carboxamide has a molecular weight of 322.60 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-chloro-6-methylpyrimidin-2-yl)thiophene-3-carboxamide is sourced from PubChem (CID 114053375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).