5-[6-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine

C16H15ClN4S — CID 52941551

IUPAC5-[6-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Nc1ncc(-c2cc(-c3ccccc3Cl)ncn2)s1
InChIInChI=1S/C16H15ClN4S/c1-10(2)21-16-18-8-15(22-16)14-7-13(19-9-20-14)11-5-3-4-6-12(11)17/h3-10H,1-2H3,(H,18,21)
InChIKeyRCFOEJONWGDCGL-UHFFFAOYSA-N
MW330.84 g/mol
LogP4.74
Rot. Bonds4

About 5-[6-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine

5-[6-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 52941551) has the molecular formula C16H15ClN4S and a molecular weight of 330.84 g/mol. Its IUPAC name is 5-[6-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[6-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID52941551
Molecular FormulaC16H15ClN4S
Molecular Weight330.84 g/mol
Exact Mass330.07
IUPAC Name5-[6-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Nc1ncc(-c2cc(-c3ccccc3Cl)ncn2)s1
InChIInChI=1S/C16H15ClN4S/c1-10(2)21-16-18-8-15(22-16)14-7-13(19-9-20-14)11-5-3-4-6-12(11)17/h3-10H,1-2H3,(H,18,21)
InChIKeyRCFOEJONWGDCGL-UHFFFAOYSA-N
XLogP4.74
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-[6-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine (CID 52941551) is 5-[6-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[6-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[6-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine is CC(C)Nc1ncc(-c2cc(-c3ccccc3Cl)ncn2)s1.
What is the InChIKey of 5-[6-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is RCFOEJONWGDCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4S/c1-10(2)21-16-18-8-15(22-16)14-7-13(19-9-20-14)11-5-3-4-6-12(11)17/h3-10H,1-2H3,(H,18,21).
What are the key properties of 5-[6-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
5-[6-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 330.84 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 52941551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).