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

C15H12ClN3S — CID 2805458

IUPAC5-[2-(4-chlorophenyl)pyrimidin-4-yl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(-c2ccnc(-c3ccc(Cl)cc3)n2)s1
InChIInChI=1S/C15H12ClN3S/c1-9-14(20-10(2)18-9)13-7-8-17-15(19-13)11-3-5-12(16)6-4-11/h3-8H,1-2H3
InChIKeyNSQGBYFDPYANCV-UHFFFAOYSA-N
MW301.80 g/mol
LogP4.54
Rot. Bonds2

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

5-[2-(4-chlorophenyl)pyrimidin-4-yl]-2,4-dimethyl-1,3-thiazole (PubChem CID 2805458) has the molecular formula C15H12ClN3S and a molecular weight of 301.80 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)pyrimidin-4-yl]-2,4-dimethyl-1,3-thiazole.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)pyrimidin-4-yl]-2,4-dimethyl-1,3-thiazole
PubChem CID2805458
Molecular FormulaC15H12ClN3S
Molecular Weight301.80 g/mol
Exact Mass301.04
IUPAC Name5-[2-(4-chlorophenyl)pyrimidin-4-yl]-2,4-dimethyl-1,3-thiazole
SMILESCc1nc(C)c(-c2ccnc(-c3ccc(Cl)cc3)n2)s1
InChIInChI=1S/C15H12ClN3S/c1-9-14(20-10(2)18-9)13-7-8-17-15(19-13)11-3-5-12(16)6-4-11/h3-8H,1-2H3
InChIKeyNSQGBYFDPYANCV-UHFFFAOYSA-N
XLogP4.54
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)pyrimidin-4-yl]-2,4-dimethyl-1,3-thiazole?
The IUPAC name of 5-[2-(4-chlorophenyl)pyrimidin-4-yl]-2,4-dimethyl-1,3-thiazole (CID 2805458) is 5-[2-(4-chlorophenyl)pyrimidin-4-yl]-2,4-dimethyl-1,3-thiazole.
What is the SMILES notation for 5-[2-(4-chlorophenyl)pyrimidin-4-yl]-2,4-dimethyl-1,3-thiazole?
The canonical SMILES for 5-[2-(4-chlorophenyl)pyrimidin-4-yl]-2,4-dimethyl-1,3-thiazole is Cc1nc(C)c(-c2ccnc(-c3ccc(Cl)cc3)n2)s1.
What is the InChIKey of 5-[2-(4-chlorophenyl)pyrimidin-4-yl]-2,4-dimethyl-1,3-thiazole?
The InChIKey is NSQGBYFDPYANCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3S/c1-9-14(20-10(2)18-9)13-7-8-17-15(19-13)11-3-5-12(16)6-4-11/h3-8H,1-2H3.
What are the key properties of 5-[2-(4-chlorophenyl)pyrimidin-4-yl]-2,4-dimethyl-1,3-thiazole?
5-[2-(4-chlorophenyl)pyrimidin-4-yl]-2,4-dimethyl-1,3-thiazole has a molecular weight of 301.80 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)pyrimidin-4-yl]-2,4-dimethyl-1,3-thiazole is sourced from PubChem (CID 2805458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).