4-[2-(2-chlorophenyl)pyrimidin-5-yl]-2-methyl-1,3-thiazole

C14H10ClN3S — CID 70312186

IUPAC4-[2-(2-chlorophenyl)pyrimidin-5-yl]-2-methyl-1,3-thiazole
SMILESCc1nc(-c2cnc(-c3ccccc3Cl)nc2)cs1
InChIInChI=1S/C14H10ClN3S/c1-9-18-13(8-19-9)10-6-16-14(17-7-10)11-4-2-3-5-12(11)15/h2-8H,1H3
InChIKeyYFXABDKHWPWCAM-UHFFFAOYSA-N
MW287.78 g/mol
LogP4.23
Rot. Bonds2

About 4-[2-(2-chlorophenyl)pyrimidin-5-yl]-2-methyl-1,3-thiazole

4-[2-(2-chlorophenyl)pyrimidin-5-yl]-2-methyl-1,3-thiazole (PubChem CID 70312186) has the molecular formula C14H10ClN3S and a molecular weight of 287.78 g/mol. Its IUPAC name is 4-[2-(2-chlorophenyl)pyrimidin-5-yl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-(2-chlorophenyl)pyrimidin-5-yl]-2-methyl-1,3-thiazole
PubChem CID70312186
Molecular FormulaC14H10ClN3S
Molecular Weight287.78 g/mol
Exact Mass287.03
IUPAC Name4-[2-(2-chlorophenyl)pyrimidin-5-yl]-2-methyl-1,3-thiazole
SMILESCc1nc(-c2cnc(-c3ccccc3Cl)nc2)cs1
InChIInChI=1S/C14H10ClN3S/c1-9-18-13(8-19-9)10-6-16-14(17-7-10)11-4-2-3-5-12(11)15/h2-8H,1H3
InChIKeyYFXABDKHWPWCAM-UHFFFAOYSA-N
XLogP4.23
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.78
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-chlorophenyl)pyrimidin-5-yl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[2-(2-chlorophenyl)pyrimidin-5-yl]-2-methyl-1,3-thiazole (CID 70312186) is 4-[2-(2-chlorophenyl)pyrimidin-5-yl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[2-(2-chlorophenyl)pyrimidin-5-yl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[2-(2-chlorophenyl)pyrimidin-5-yl]-2-methyl-1,3-thiazole is Cc1nc(-c2cnc(-c3ccccc3Cl)nc2)cs1.
What is the InChIKey of 4-[2-(2-chlorophenyl)pyrimidin-5-yl]-2-methyl-1,3-thiazole?
The InChIKey is YFXABDKHWPWCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3S/c1-9-18-13(8-19-9)10-6-16-14(17-7-10)11-4-2-3-5-12(11)15/h2-8H,1H3.
What are the key properties of 4-[2-(2-chlorophenyl)pyrimidin-5-yl]-2-methyl-1,3-thiazole?
4-[2-(2-chlorophenyl)pyrimidin-5-yl]-2-methyl-1,3-thiazole has a molecular weight of 287.78 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-chlorophenyl)pyrimidin-5-yl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 70312186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).