[2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone

C14H16N2OS2 — CID 53037019

IUPAC[2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(-c2nc(C(=O)N3CCCCC3)cs2)s1
InChIInChI=1S/C14H16N2OS2/c1-10-5-6-12(19-10)13-15-11(9-18-13)14(17)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8H2,1H3
InChIKeyQCBSIIVEPZNOEC-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.81
Rot. Bonds2

About [2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone

[2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 53037019) has the molecular formula C14H16N2OS2 and a molecular weight of 292.43 g/mol. Its IUPAC name is [2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
PubChem CID53037019
Molecular FormulaC14H16N2OS2
Molecular Weight292.43 g/mol
Exact Mass292.07
IUPAC Name[2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
SMILESCc1ccc(-c2nc(C(=O)N3CCCCC3)cs2)s1
InChIInChI=1S/C14H16N2OS2/c1-10-5-6-12(19-10)13-15-11(9-18-13)14(17)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8H2,1H3
InChIKeyQCBSIIVEPZNOEC-UHFFFAOYSA-N
XLogP3.81
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(2-piperazin-1-ylphenyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
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N-methyl-2-(thiophen-2-yl)-1,3-thiazole-4-carboxamide
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US9216962, Cfh325-B
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[4-[(2-Cyclohexyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 45891557
methyl (E)-4-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]but-2-enoate
CID 90675747
[4-(4-Fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 16295953
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 24473064
[4-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 38470283
1-[4-(2-Oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone
CID 40055711

Frequently Asked Questions

What is the IUPAC name of [2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone (CID 53037019) is [2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone is Cc1ccc(-c2nc(C(=O)N3CCCCC3)cs2)s1.
What is the InChIKey of [2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is QCBSIIVEPZNOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS2/c1-10-5-6-12(19-10)13-15-11(9-18-13)14(17)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of [2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
[2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 292.43 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methylthiophen-2-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 53037019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).