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

C18H18ClN5S — CID 58688608

IUPAC5-[6-(2-chlorophenyl)pyrimidin-4-yl]-N-piperidin-4-yl-1,3-thiazol-2-amine
SMILESClc1ccccc1-c1cc(-c2cnc(NC3CCNCC3)s2)ncn1
InChIInChI=1S/C18H18ClN5S/c19-14-4-2-1-3-13(14)15-9-16(23-11-22-15)17-10-21-18(25-17)24-12-5-7-20-8-6-12/h1-4,9-12,20H,5-8H2,(H,21,24)
InChIKeyBQJQAXPJJRLUHY-UHFFFAOYSA-N
MW371.90 g/mol
LogP4.08
Rot. Bonds4

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

5-[6-(2-chlorophenyl)pyrimidin-4-yl]-N-piperidin-4-yl-1,3-thiazol-2-amine (PubChem CID 58688608) has the molecular formula C18H18ClN5S and a molecular weight of 371.90 g/mol. Its IUPAC name is 5-[6-(2-chlorophenyl)pyrimidin-4-yl]-N-piperidin-4-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[6-(2-chlorophenyl)pyrimidin-4-yl]-N-piperidin-4-yl-1,3-thiazol-2-amine
PubChem CID58688608
Molecular FormulaC18H18ClN5S
Molecular Weight371.90 g/mol
Exact Mass371.10
IUPAC Name5-[6-(2-chlorophenyl)pyrimidin-4-yl]-N-piperidin-4-yl-1,3-thiazol-2-amine
SMILESClc1ccccc1-c1cc(-c2cnc(NC3CCNCC3)s2)ncn1
InChIInChI=1S/C18H18ClN5S/c19-14-4-2-1-3-13(14)15-9-16(23-11-22-15)17-10-21-18(25-17)24-12-5-7-20-8-6-12/h1-4,9-12,20H,5-8H2,(H,21,24)
InChIKeyBQJQAXPJJRLUHY-UHFFFAOYSA-N
XLogP4.08
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.90
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-chlorophenyl)pyrimidin-4-yl]-N-piperidin-4-yl-1,3-thiazol-2-amine?
The IUPAC name of 5-[6-(2-chlorophenyl)pyrimidin-4-yl]-N-piperidin-4-yl-1,3-thiazol-2-amine (CID 58688608) is 5-[6-(2-chlorophenyl)pyrimidin-4-yl]-N-piperidin-4-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[6-(2-chlorophenyl)pyrimidin-4-yl]-N-piperidin-4-yl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[6-(2-chlorophenyl)pyrimidin-4-yl]-N-piperidin-4-yl-1,3-thiazol-2-amine is Clc1ccccc1-c1cc(-c2cnc(NC3CCNCC3)s2)ncn1.
What is the InChIKey of 5-[6-(2-chlorophenyl)pyrimidin-4-yl]-N-piperidin-4-yl-1,3-thiazol-2-amine?
The InChIKey is BQJQAXPJJRLUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5S/c19-14-4-2-1-3-13(14)15-9-16(23-11-22-15)17-10-21-18(25-17)24-12-5-7-20-8-6-12/h1-4,9-12,20H,5-8H2,(H,21,24).
What are the key properties of 5-[6-(2-chlorophenyl)pyrimidin-4-yl]-N-piperidin-4-yl-1,3-thiazol-2-amine?
5-[6-(2-chlorophenyl)pyrimidin-4-yl]-N-piperidin-4-yl-1,3-thiazol-2-amine has a molecular weight of 371.90 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-chlorophenyl)pyrimidin-4-yl]-N-piperidin-4-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 58688608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).