N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide

C16H18ClN3O2S3 — CID 2158858

IUPACN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide
SMILESO=C(CSCC(=O)N1CCCCC1)Nc1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C16H18ClN3O2S3/c17-13-5-4-12(25-13)11-8-24-16(18-11)19-14(21)9-23-10-15(22)20-6-2-1-3-7-20/h4-5,8H,1-3,6-7,9-10H2,(H,18,19,21)
InChIKeySLOLPZZNZXCROK-UHFFFAOYSA-N
MW415.99 g/mol
LogP4.21
Rot. Bonds6

About N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide (PubChem CID 2158858) has the molecular formula C16H18ClN3O2S3 and a molecular weight of 415.99 g/mol. Its IUPAC name is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide
PubChem CID2158858
Molecular FormulaC16H18ClN3O2S3
Molecular Weight415.99 g/mol
Exact Mass415.02
IUPAC NameN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide
SMILESO=C(CSCC(=O)N1CCCCC1)Nc1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C16H18ClN3O2S3/c17-13-5-4-12(25-13)11-8-24-16(18-11)19-14(21)9-23-10-15(22)20-6-2-1-3-7-20/h4-5,8H,1-3,6-7,9-10H2,(H,18,19,21)
InChIKeySLOLPZZNZXCROK-UHFFFAOYSA-N
XLogP4.21
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.99
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide?
The IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide (CID 2158858) is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide.
What is the SMILES notation for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide?
The canonical SMILES for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide is O=C(CSCC(=O)N1CCCCC1)Nc1nc(-c2ccc(Cl)s2)cs1.
What is the InChIKey of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide?
The InChIKey is SLOLPZZNZXCROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2S3/c17-13-5-4-12(25-13)11-8-24-16(18-11)19-14(21)9-23-10-15(22)20-6-2-1-3-7-20/h4-5,8H,1-3,6-7,9-10H2,(H,18,19,21).
What are the key properties of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide?
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide has a molecular weight of 415.99 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide is sourced from PubChem (CID 2158858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).