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

C19H21ClN4OS — CID 44534547

IUPAC4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-(2-piperidin-1-ylethyl)-1,3-thiazol-2-amine
SMILESClc1ccc(-c2cc(-c3csc(NCCN4CCCCC4)n3)on2)cc1
InChIInChI=1S/C19H21ClN4OS/c20-15-6-4-14(5-7-15)16-12-18(25-23-16)17-13-26-19(22-17)21-8-11-24-9-2-1-3-10-24/h4-7,12-13H,1-3,8-11H2,(H,21,22)
InChIKeyPNVKTBQSQJKLCZ-UHFFFAOYSA-N
MW388.92 g/mol
LogP5.02
Rot. Bonds6

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

4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-(2-piperidin-1-ylethyl)-1,3-thiazol-2-amine (PubChem CID 44534547) has the molecular formula C19H21ClN4OS and a molecular weight of 388.92 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-(2-piperidin-1-ylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-(2-piperidin-1-ylethyl)-1,3-thiazol-2-amine
PubChem CID44534547
Molecular FormulaC19H21ClN4OS
Molecular Weight388.92 g/mol
Exact Mass388.11
IUPAC Name4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-(2-piperidin-1-ylethyl)-1,3-thiazol-2-amine
SMILESClc1ccc(-c2cc(-c3csc(NCCN4CCCCC4)n3)on2)cc1
InChIInChI=1S/C19H21ClN4OS/c20-15-6-4-14(5-7-15)16-12-18(25-23-16)17-13-26-19(22-17)21-8-11-24-9-2-1-3-10-24/h4-7,12-13H,1-3,8-11H2,(H,21,22)
InChIKeyPNVKTBQSQJKLCZ-UHFFFAOYSA-N
XLogP5.02
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.92
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-(2-piperidin-1-ylethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-(2-piperidin-1-ylethyl)-1,3-thiazol-2-amine (CID 44534547) is 4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-(2-piperidin-1-ylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-(2-piperidin-1-ylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-(2-piperidin-1-ylethyl)-1,3-thiazol-2-amine is Clc1ccc(-c2cc(-c3csc(NCCN4CCCCC4)n3)on2)cc1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-(2-piperidin-1-ylethyl)-1,3-thiazol-2-amine?
The InChIKey is PNVKTBQSQJKLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4OS/c20-15-6-4-14(5-7-15)16-12-18(25-23-16)17-13-26-19(22-17)21-8-11-24-9-2-1-3-10-24/h4-7,12-13H,1-3,8-11H2,(H,21,22).
What are the key properties of 4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-(2-piperidin-1-ylethyl)-1,3-thiazol-2-amine?
4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-(2-piperidin-1-ylethyl)-1,3-thiazol-2-amine has a molecular weight of 388.92 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-1,2-oxazol-5-yl]-N-(2-piperidin-1-ylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 44534547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).