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

C16H20N2OS2 — CID 175659264

IUPAC[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(C)(c3ncc(C)s3)CC2)s1
InChIInChI=1S/C16H20N2OS2/c1-11-4-5-13(20-11)14(19)18-8-6-16(3,7-9-18)15-17-10-12(2)21-15/h4-5,10H,6-9H2,1-3H3
InChIKeyVLGPPPFXIZYECH-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.02
Rot. Bonds2

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

[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone (PubChem CID 175659264) has the molecular formula C16H20N2OS2 and a molecular weight of 320.48 g/mol. Its IUPAC name is [4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
PubChem CID175659264
Molecular FormulaC16H20N2OS2
Molecular Weight320.48 g/mol
Exact Mass320.10
IUPAC Name[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(C)(c3ncc(C)s3)CC2)s1
InChIInChI=1S/C16H20N2OS2/c1-11-4-5-13(20-11)14(19)18-8-6-16(3,7-9-18)15-17-10-12(2)21-15/h4-5,10H,6-9H2,1-3H3
InChIKeyVLGPPPFXIZYECH-UHFFFAOYSA-N
XLogP4.02
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.02
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]-(4-methylthiophen-2-yl)methanone
CID 110114466
[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 110114467
[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
(3-hydroxy-3-methylpyrrolidin-1-yl)-(5-methylthiophen-2-yl)methanone
CID 103726749
[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 110114432
(5-methylthiophen-2-yl)-piperidin-1-ylmethanone
CID 22375343
2-(2-methoxyphenyl)-1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 110114408
1-[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-morpholin-4-ylpropan-1-one
CID 110114440
(5-methylthiophen-2-yl)-morpholin-4-ylmethanone
CID 59130289
5-methyl-2-(1-methylcyclononyl)-1,3-thiazole
CID 130179511
[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 110114555

Frequently Asked Questions

What is the IUPAC name of [4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The IUPAC name of [4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone (CID 175659264) is [4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for [4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for [4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)N2CCC(C)(c3ncc(C)s3)CC2)s1.
What is the InChIKey of [4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
The InChIKey is VLGPPPFXIZYECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS2/c1-11-4-5-13(20-11)14(19)18-8-6-16(3,7-9-18)15-17-10-12(2)21-15/h4-5,10H,6-9H2,1-3H3.
What are the key properties of [4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone?
[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone has a molecular weight of 320.48 g/mol, XLogP of 4.02, 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]-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 175659264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).