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

C16H15ClN4S — CID 52942573

IUPAC5-[2-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Nc1ncc(-c2ccnc(-c3ccccc3Cl)n2)s1
InChIInChI=1S/C16H15ClN4S/c1-10(2)20-16-19-9-14(22-16)13-7-8-18-15(21-13)11-5-3-4-6-12(11)17/h3-10H,1-2H3,(H,19,20)
InChIKeyUEZBMIQIUOTBJT-UHFFFAOYSA-N
MW330.84 g/mol
LogP4.74
Rot. Bonds4

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

5-[2-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 52942573) has the molecular formula C16H15ClN4S and a molecular weight of 330.84 g/mol. Its IUPAC name is 5-[2-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID52942573
Molecular FormulaC16H15ClN4S
Molecular Weight330.84 g/mol
Exact Mass330.07
IUPAC Name5-[2-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Nc1ncc(-c2ccnc(-c3ccccc3Cl)n2)s1
InChIInChI=1S/C16H15ClN4S/c1-10(2)20-16-19-9-14(22-16)13-7-8-18-15(21-13)11-5-3-4-6-12(11)17/h3-10H,1-2H3,(H,19,20)
InChIKeyUEZBMIQIUOTBJT-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-[2-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine (CID 52942573) is 5-[2-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine is CC(C)Nc1ncc(-c2ccnc(-c3ccccc3Cl)n2)s1.
What is the InChIKey of 5-[2-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is UEZBMIQIUOTBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4S/c1-10(2)20-16-19-9-14(22-16)13-7-8-18-15(21-13)11-5-3-4-6-12(11)17/h3-10H,1-2H3,(H,19,20).
What are the key properties of 5-[2-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine?
5-[2-(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-[2-(2-chlorophenyl)pyrimidin-4-yl]-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 52942573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).