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

C13H14N2OS2 — CID 110289749

IUPAC[4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(c2nccs2)CC1
InChIInChI=1S/C13H14N2OS2/c16-13(11-2-1-8-17-11)15-6-3-10(4-7-15)12-14-5-9-18-12/h1-2,5,8-10H,3-4,6-7H2
InChIKeyBBUZQCHHPSUNLB-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.22
Rot. Bonds2

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

[4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 110289749) has the molecular formula C13H14N2OS2 and a molecular weight of 278.40 g/mol. Its IUPAC name is [4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID110289749
Molecular FormulaC13H14N2OS2
Molecular Weight278.40 g/mol
Exact Mass278.05
IUPAC Name[4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCC(c2nccs2)CC1
InChIInChI=1S/C13H14N2OS2/c16-13(11-2-1-8-17-11)15-6-3-10(4-7-15)12-14-5-9-18-12/h1-2,5,8-10H,3-4,6-7H2
InChIKeyBBUZQCHHPSUNLB-UHFFFAOYSA-N
XLogP3.22
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-hydroxyphenyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 47142241
cyclopropyl-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone;hydrochloride
CID 71692447
[4-(1,3-thiazol-2-yl)piperidin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 110289798
(2-chloro-6-fluorophenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110289794
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
(4-methylpiperazin-1-yl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 143718408
1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 71692446
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217
(3-phenylpyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 2908197
(3,5-dimethoxyphenyl)-[4-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110289762
[4-(2-hydroxyethyl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 121200642

Frequently Asked Questions

What is the IUPAC name of [4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone (CID 110289749) is [4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCC(c2nccs2)CC1.
What is the InChIKey of [4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is BBUZQCHHPSUNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS2/c16-13(11-2-1-8-17-11)15-6-3-10(4-7-15)12-14-5-9-18-12/h1-2,5,8-10H,3-4,6-7H2.
What are the key properties of [4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone?
[4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 278.40 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 110289749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).