6-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide

C14H8Cl2N4OS — CID 87314477

IUPAC6-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1nccs1)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1
InChIInChI=1S/C14H8Cl2N4OS/c15-9-2-1-8(5-10(9)16)11-6-12(19-7-18-11)13(21)20-14-17-3-4-22-14/h1-7H,(H,17,20,21)
InChIKeyHOIWSWILOCYHPJ-UHFFFAOYSA-N
MW351.22 g/mol
LogP4.16
Rot. Bonds3

About 6-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide

6-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide (PubChem CID 87314477) has the molecular formula C14H8Cl2N4OS and a molecular weight of 351.22 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
PubChem CID87314477
Molecular FormulaC14H8Cl2N4OS
Molecular Weight351.22 g/mol
Exact Mass349.98
IUPAC Name6-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
SMILESO=C(Nc1nccs1)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1
InChIInChI=1S/C14H8Cl2N4OS/c15-9-2-1-8(5-10(9)16)11-6-12(19-7-18-11)13(21)20-14-17-3-4-22-14/h1-7H,(H,17,20,21)
InChIKeyHOIWSWILOCYHPJ-UHFFFAOYSA-N
XLogP4.16
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,4-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 67218717
6-(3,4-dichlorophenyl)-N-(6-methyl-3-pyridinyl)pyrimidine-4-carboxamide
CID 67218380
methyl 2-[[6-(3,4-dichlorophenyl)pyrimidine-4-carbonyl]amino]acetate
CID 71282712
6-phenylmethoxy-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 91816331
N-(3,4-dichlorophenyl)-N'-(1,3-thiazol-2-yl)butanediamide
CID 23822862
6-(3,4-dichlorophenyl)-N-[(2S)-pyrrolidine-2-carbonyl]pyrimidine-4-carboxamide
CID 71282654
3-chloro-6-(methylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 62172860
6-(3,4-dichlorophenyl)-N-(1-piperidin-4-ylethyl)pyrimidine-4-carboxamide
CID 71292443
4-(1H-pyrazol-4-yl)-N-(1,3-thiazol-2-yl)benzamide
CID 110464300
2-(4-fluorophenyl)-N-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 9043781
methyl 6-(3-chloro-4-methylphenyl)pyrimidine-4-carboxylate
CID 67218962
N-[6-(3,4-dichlorophenyl)pyrimidin-4-yl]-2,2-dimethylpropanamide
CID 71292603

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide (CID 87314477) is 6-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide is O=C(Nc1nccs1)c1cc(-c2ccc(Cl)c(Cl)c2)ncn1.
What is the InChIKey of 6-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
The InChIKey is HOIWSWILOCYHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N4OS/c15-9-2-1-8(5-10(9)16)11-6-12(19-7-18-11)13(21)20-14-17-3-4-22-14/h1-7H,(H,17,20,21).
What are the key properties of 6-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide?
6-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide has a molecular weight of 351.22 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 87314477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).