5-chloro-2-[4,6-dichloro-5-(2-methylphenyl)pyrimidin-2-yl]-1,3-thiazole

C14H8Cl3N3S — CID 107124713

IUPAC5-chloro-2-[4,6-dichloro-5-(2-methylphenyl)pyrimidin-2-yl]-1,3-thiazole
SMILESCc1ccccc1-c1c(Cl)nc(-c2ncc(Cl)s2)nc1Cl
InChIInChI=1S/C14H8Cl3N3S/c1-7-4-2-3-5-8(7)10-11(16)19-13(20-12(10)17)14-18-6-9(15)21-14/h2-6H,1H3
InChIKeyLMEBFVFIHXNSCF-UHFFFAOYSA-N
MW356.67 g/mol
LogP5.54
Rot. Bonds2

About 5-chloro-2-[4,6-dichloro-5-(2-methylphenyl)pyrimidin-2-yl]-1,3-thiazole

5-chloro-2-[4,6-dichloro-5-(2-methylphenyl)pyrimidin-2-yl]-1,3-thiazole (PubChem CID 107124713) has the molecular formula C14H8Cl3N3S and a molecular weight of 356.67 g/mol. Its IUPAC name is 5-chloro-2-[4,6-dichloro-5-(2-methylphenyl)pyrimidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-chloro-2-[4,6-dichloro-5-(2-methylphenyl)pyrimidin-2-yl]-1,3-thiazole
PubChem CID107124713
Molecular FormulaC14H8Cl3N3S
Molecular Weight356.67 g/mol
Exact Mass354.95
IUPAC Name5-chloro-2-[4,6-dichloro-5-(2-methylphenyl)pyrimidin-2-yl]-1,3-thiazole
SMILESCc1ccccc1-c1c(Cl)nc(-c2ncc(Cl)s2)nc1Cl
InChIInChI=1S/C14H8Cl3N3S/c1-7-4-2-3-5-8(7)10-11(16)19-13(20-12(10)17)14-18-6-9(15)21-14/h2-6H,1H3
InChIKeyLMEBFVFIHXNSCF-UHFFFAOYSA-N
XLogP5.54
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.67
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-bromo-4-chloro-6-(2-methylpropyl)pyrimidin-2-yl]-5-chloro-1,3-thiazole
CID 107124723
4,6-dichloro-5-(2-methylphenyl)-N-phenylpyrimidin-2-amine
CID 86045532
[2-(5-chloro-1,3-thiazol-2-yl)-5-methyl-6-phenylpyrimidin-4-yl]hydrazine
CID 107125450
2-(5-chloro-1,3-thiazol-2-yl)-N-methyl-6-phenylpyrimidin-4-amine
CID 107125310
4-chloro-2-(2-methylphenyl)thieno[2,3-d]pyrimidine
CID 62177117
5-chloro-2-[4-chloro-5-iodo-6-(methoxymethyl)pyrimidin-2-yl]-1,3-thiazole
CID 107124705
4,6-dichloro-5-(2-fluorophenyl)-2-(5-methylthiophen-2-yl)pyrimidine
CID 79435355
2-(5-chloro-1,3-thiazol-2-yl)-N-ethyl-6-phenylpyrimidin-4-amine
CID 107125311
4,6-dichloro-2-(3-methoxypropyl)-5-(2-methylphenyl)pyrimidine
CID 79421873
2-chloro-4-(2-methylphenyl)thieno[2,3-b]pyridin-5-amine;ethanol;hydrochloride
CID 19787197
5-chloro-2-(2-methylphenoxy)-1,3-thiazole
CID 117260285
2,5-bis(2-methylphenyl)-1,3,4-thiadiazole
CID 139674338

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4,6-dichloro-5-(2-methylphenyl)pyrimidin-2-yl]-1,3-thiazole?
The IUPAC name of 5-chloro-2-[4,6-dichloro-5-(2-methylphenyl)pyrimidin-2-yl]-1,3-thiazole (CID 107124713) is 5-chloro-2-[4,6-dichloro-5-(2-methylphenyl)pyrimidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 5-chloro-2-[4,6-dichloro-5-(2-methylphenyl)pyrimidin-2-yl]-1,3-thiazole?
The canonical SMILES for 5-chloro-2-[4,6-dichloro-5-(2-methylphenyl)pyrimidin-2-yl]-1,3-thiazole is Cc1ccccc1-c1c(Cl)nc(-c2ncc(Cl)s2)nc1Cl.
What is the InChIKey of 5-chloro-2-[4,6-dichloro-5-(2-methylphenyl)pyrimidin-2-yl]-1,3-thiazole?
The InChIKey is LMEBFVFIHXNSCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl3N3S/c1-7-4-2-3-5-8(7)10-11(16)19-13(20-12(10)17)14-18-6-9(15)21-14/h2-6H,1H3.
What are the key properties of 5-chloro-2-[4,6-dichloro-5-(2-methylphenyl)pyrimidin-2-yl]-1,3-thiazole?
5-chloro-2-[4,6-dichloro-5-(2-methylphenyl)pyrimidin-2-yl]-1,3-thiazole has a molecular weight of 356.67 g/mol, XLogP of 5.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4,6-dichloro-5-(2-methylphenyl)pyrimidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 107124713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).