N-[2-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C22H21N5O2S2 — CID 71142304

About N-[2-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-[2-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 71142304) has the molecular formula C22H21N5O2S2 and a molecular weight of 451.58 g/mol. Its IUPAC name is N-[2-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
• PubChem CID: 71142304
• Molecular Formula: C22H21N5O2S2
• Molecular Weight: 451.58 g/mol
• Exact Mass: 451.11
• IUPAC Name: N-[2-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
• SMILES: O=C(Nc1ccccc1N1CCN(Cc2ncco2)CC1)c1csc(-c2cccs2)n1
• InChI: InChI=1S/C22H21N5O2S2/c28-21(17-15-31-22(25-17)19-6-3-13-30-19)24-16-4-1-2-5-18(16)27-10-8-26(9-11-27)14-20-23-7-12-29-20/h1-7,12-13,15H,8-11,14H2,(H,24,28)
• InChIKey: CXHHURZJEVXDSG-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 74.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.58
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[2-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 71142304) is N-[2-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[2-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[2-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1N1CCN(Cc2ncco2)CC1)c1csc(-c2cccs2)n1.

What is the InChIKey of N-[2-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?

The InChIKey is CXHHURZJEVXDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S2/c28-21(17-15-31-22(25-17)19-6-3-13-30-19)24-16-4-1-2-5-18(16)27-10-8-26(9-11-27)14-20-23-7-12-29-20/h1-7,12-13,15H,8-11,14H2,(H,24,28).

What are the key properties of N-[2-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?

N-[2-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 451.58 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(1,3-oxazol-2-ylmethyl)piperazin-1-yl]phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71142304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).