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

C15H18N2OS2 — CID 110114467

IUPAC[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESCc1cnc(C2(C)CCN(C(=O)c3ccsc3)CC2)s1
InChIInChI=1S/C15H18N2OS2/c1-11-9-16-14(20-11)15(2)4-6-17(7-5-15)13(18)12-3-8-19-10-12/h3,8-10H,4-7H2,1-2H3
InChIKeyZHQVAJDLUXQSEN-UHFFFAOYSA-N
MW306.46 g/mol
LogP3.71
Rot. Bonds2

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

[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 110114467) has the molecular formula C15H18N2OS2 and a molecular weight of 306.46 g/mol. Its IUPAC name is [4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
PubChem CID110114467
Molecular FormulaC15H18N2OS2
Molecular Weight306.46 g/mol
Exact Mass306.09
IUPAC Name[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESCc1cnc(C2(C)CCN(C(=O)c3ccsc3)CC2)s1
InChIInChI=1S/C15H18N2OS2/c1-11-9-16-14(20-11)15(2)4-6-17(7-5-15)13(18)12-3-8-19-10-12/h3,8-10H,4-7H2,1-2H3
InChIKeyZHQVAJDLUXQSEN-UHFFFAOYSA-N
XLogP3.71
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 175659264
[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 110114466
[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 110114434
(1-aminocyclopentyl)-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 110114476
[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 110114432
1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 110114410
[2-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone;2,2,2-trifluoroacetic acid
CID 155839257
[2-(1,3-thiazole-4-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-thiophen-3-ylmethanone
CID 97369944
2-(2-methoxyphenyl)-1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 110114408
[7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]-thiophen-3-ylmethanone
CID 97472794
1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110114440
[4-(2-tert-butyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 47893545

Frequently Asked Questions

What is the IUPAC name of [4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone (CID 110114467) is [4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone is Cc1cnc(C2(C)CCN(C(=O)c3ccsc3)CC2)s1.
What is the InChIKey of [4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is ZHQVAJDLUXQSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS2/c1-11-9-16-14(20-11)15(2)4-6-17(7-5-15)13(18)12-3-8-19-10-12/h3,8-10H,4-7H2,1-2H3.
What are the key properties of [4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 306.46 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 110114467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).