4-chloro-2-[4-methyl-6-(3-methylthiophen-2-yl)pyrimidin-2-yl]-1,3-thiazole

C13H10ClN3S2 — CID 91188517

IUPAC4-chloro-2-[4-methyl-6-(3-methylthiophen-2-yl)pyrimidin-2-yl]-1,3-thiazole
SMILESCc1cc(-c2sccc2C)nc(-c2nc(Cl)cs2)n1
InChIInChI=1S/C13H10ClN3S2/c1-7-3-4-18-11(7)9-5-8(2)15-12(16-9)13-17-10(14)6-19-13/h3-6H,1-2H3
InChIKeyXLBISDOWJCNTQE-UHFFFAOYSA-N
MW307.83 g/mol
LogP4.60
Rot. Bonds2

About 4-chloro-2-[4-methyl-6-(3-methylthiophen-2-yl)pyrimidin-2-yl]-1,3-thiazole

4-chloro-2-[4-methyl-6-(3-methylthiophen-2-yl)pyrimidin-2-yl]-1,3-thiazole (PubChem CID 91188517) has the molecular formula C13H10ClN3S2 and a molecular weight of 307.83 g/mol. Its IUPAC name is 4-chloro-2-[4-methyl-6-(3-methylthiophen-2-yl)pyrimidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-[4-methyl-6-(3-methylthiophen-2-yl)pyrimidin-2-yl]-1,3-thiazole
PubChem CID91188517
Molecular FormulaC13H10ClN3S2
Molecular Weight307.83 g/mol
Exact Mass307.00
IUPAC Name4-chloro-2-[4-methyl-6-(3-methylthiophen-2-yl)pyrimidin-2-yl]-1,3-thiazole
SMILESCc1cc(-c2sccc2C)nc(-c2nc(Cl)cs2)n1
InChIInChI=1S/C13H10ClN3S2/c1-7-3-4-18-11(7)9-5-8(2)15-12(16-9)13-17-10(14)6-19-13/h3-6H,1-2H3
InChIKeyXLBISDOWJCNTQE-UHFFFAOYSA-N
XLogP4.60
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-(3-methylthiophen-2-yl)pyrazine
CID 79991011
N-[[4-methyl-6-(3-methylthiophen-2-yl)pyrimidin-2-yl]methyl]propan-2-amine
CID 116893233
2-(3-bromothiophen-2-yl)-4-chloro-6-methylpyrimidine
CID 115380799
2-(3,4-dichlorophenyl)-3-methylthiophene
CID 18715818
4-chloro-2-(2,4,6-trimethylphenyl)-1,3-thiazole
CID 83158896
4-[4-(3-methylthiophen-2-yl)-1,3-thiazol-2-yl]aniline
CID 63993468
4,6-dichloro-2-(3-chlorothiophen-2-yl)pyrimidine
CID 131008069
4-chloro-2-(3-methylthiophen-2-yl)-6-propan-2-ylpyrimidine
CID 43557747
2-(4-tert-butyl-2-methylphenyl)-4-chloro-1,3-thiazole
CID 116892310
2,4-dimethyl-5-[6-methyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]-1,3-thiazole
CID 91214468
4-chloro-6-cyclopentyl-2-(3-methylthiophen-2-yl)pyrimidine
CID 113390310
3-(3-chlorothiophen-2-yl)-4-methyl-1,2-oxazol-5-amine
CID 80645378

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[4-methyl-6-(3-methylthiophen-2-yl)pyrimidin-2-yl]-1,3-thiazole?
The IUPAC name of 4-chloro-2-[4-methyl-6-(3-methylthiophen-2-yl)pyrimidin-2-yl]-1,3-thiazole (CID 91188517) is 4-chloro-2-[4-methyl-6-(3-methylthiophen-2-yl)pyrimidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-[4-methyl-6-(3-methylthiophen-2-yl)pyrimidin-2-yl]-1,3-thiazole?
The canonical SMILES for 4-chloro-2-[4-methyl-6-(3-methylthiophen-2-yl)pyrimidin-2-yl]-1,3-thiazole is Cc1cc(-c2sccc2C)nc(-c2nc(Cl)cs2)n1.
What is the InChIKey of 4-chloro-2-[4-methyl-6-(3-methylthiophen-2-yl)pyrimidin-2-yl]-1,3-thiazole?
The InChIKey is XLBISDOWJCNTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3S2/c1-7-3-4-18-11(7)9-5-8(2)15-12(16-9)13-17-10(14)6-19-13/h3-6H,1-2H3.
What are the key properties of 4-chloro-2-[4-methyl-6-(3-methylthiophen-2-yl)pyrimidin-2-yl]-1,3-thiazole?
4-chloro-2-[4-methyl-6-(3-methylthiophen-2-yl)pyrimidin-2-yl]-1,3-thiazole has a molecular weight of 307.83 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[4-methyl-6-(3-methylthiophen-2-yl)pyrimidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 91188517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).