5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-cyclopropyl-1,3-thiazol-2-amine

C21H16ClN5S — CID 52949978

IUPAC5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-cyclopropyl-1,3-thiazol-2-amine
SMILESClc1ccccc1-c1cc(-c2cnc(NC3CC3)s2)nc(-c2ccccn2)n1
InChIInChI=1S/C21H16ClN5S/c22-15-6-2-1-5-14(15)17-11-18(19-12-24-21(28-19)25-13-8-9-13)27-20(26-17)16-7-3-4-10-23-16/h1-7,10-13H,8-9H2,(H,24,25)
InChIKeyPKQKDZRSTCZBIW-UHFFFAOYSA-N
MW405.91 g/mol
LogP5.56
Rot. Bonds5

About 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-cyclopropyl-1,3-thiazol-2-amine

5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-cyclopropyl-1,3-thiazol-2-amine (PubChem CID 52949978) has the molecular formula C21H16ClN5S and a molecular weight of 405.91 g/mol. Its IUPAC name is 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-cyclopropyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-cyclopropyl-1,3-thiazol-2-amine
PubChem CID52949978
Molecular FormulaC21H16ClN5S
Molecular Weight405.91 g/mol
Exact Mass405.08
IUPAC Name5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-cyclopropyl-1,3-thiazol-2-amine
SMILESClc1ccccc1-c1cc(-c2cnc(NC3CC3)s2)nc(-c2ccccn2)n1
InChIInChI=1S/C21H16ClN5S/c22-15-6-2-1-5-14(15)17-11-18(19-12-24-21(28-19)25-13-8-9-13)27-20(26-17)16-7-3-4-10-23-16/h1-7,10-13H,8-9H2,(H,24,25)
InChIKeyPKQKDZRSTCZBIW-UHFFFAOYSA-N
XLogP5.56
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.91
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-cyclopropyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-cyclopropyl-1,3-thiazol-2-amine (CID 52949978) is 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-cyclopropyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-cyclopropyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-cyclopropyl-1,3-thiazol-2-amine is Clc1ccccc1-c1cc(-c2cnc(NC3CC3)s2)nc(-c2ccccn2)n1.
What is the InChIKey of 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-cyclopropyl-1,3-thiazol-2-amine?
The InChIKey is PKQKDZRSTCZBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN5S/c22-15-6-2-1-5-14(15)17-11-18(19-12-24-21(28-19)25-13-8-9-13)27-20(26-17)16-7-3-4-10-23-16/h1-7,10-13H,8-9H2,(H,24,25).
What are the key properties of 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-cyclopropyl-1,3-thiazol-2-amine?
5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-cyclopropyl-1,3-thiazol-2-amine has a molecular weight of 405.91 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-chlorophenyl)-2-pyridin-2-ylpyrimidin-4-yl]-N-cyclopropyl-1,3-thiazol-2-amine is sourced from PubChem (CID 52949978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).