4-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine

C14H11ClN4S — CID 91664233

IUPAC4-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2cnc(-c3ccc(Cl)cc3)s2)n1
InChIInChI=1S/C14H11ClN4S/c1-16-14-17-7-6-11(19-14)12-8-18-13(20-12)9-2-4-10(15)5-3-9/h2-8H,1H3,(H,16,17,19)
InChIKeyHCTWTIYXNKPKHA-UHFFFAOYSA-N
MW302.79 g/mol
LogP3.96
Rot. Bonds3

About 4-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine

4-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine (PubChem CID 91664233) has the molecular formula C14H11ClN4S and a molecular weight of 302.79 g/mol. Its IUPAC name is 4-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine
PubChem CID91664233
Molecular FormulaC14H11ClN4S
Molecular Weight302.79 g/mol
Exact Mass302.04
IUPAC Name4-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2cnc(-c3ccc(Cl)cc3)s2)n1
InChIInChI=1S/C14H11ClN4S/c1-16-14-17-7-6-11(19-14)12-8-18-13(20-12)9-2-4-10(15)5-3-9/h2-8H,1H3,(H,16,17,19)
InChIKeyHCTWTIYXNKPKHA-UHFFFAOYSA-N
XLogP3.96
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine?
The IUPAC name of 4-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine (CID 91664233) is 4-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine is CNc1nccc(-c2cnc(-c3ccc(Cl)cc3)s2)n1.
What is the InChIKey of 4-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine?
The InChIKey is HCTWTIYXNKPKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4S/c1-16-14-17-7-6-11(19-14)12-8-18-13(20-12)9-2-4-10(15)5-3-9/h2-8H,1H3,(H,16,17,19).
What are the key properties of 4-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine?
4-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine has a molecular weight of 302.79 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-chlorophenyl)-1,3-thiazol-5-yl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 91664233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).