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

C16H20N2OS2 — CID 110114466

IUPAC[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
SMILESCc1csc(C(=O)N2CCC(C)(c3ncc(C)s3)CC2)c1
InChIInChI=1S/C16H20N2OS2/c1-11-8-13(20-10-11)14(19)18-6-4-16(3,5-7-18)15-17-9-12(2)21-15/h8-10H,4-7H2,1-3H3
InChIKeySEHBTSUQGVBJLK-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.02
Rot. Bonds2

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

[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone (PubChem CID 110114466) 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]-(4-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone
PubChem CID110114466
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]-(4-methylthiophen-2-yl)methanone
SMILESCc1csc(C(=O)N2CCC(C)(c3ncc(C)s3)CC2)c1
InChIInChI=1S/C16H20N2OS2/c1-11-8-13(20-10-11)14(19)18-6-4-16(3,5-7-18)15-17-9-12(2)21-15/h8-10H,4-7H2,1-3H3
InChIKeySEHBTSUQGVBJLK-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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Frequently Asked Questions

What is the IUPAC name of [4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone?
The IUPAC name of [4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone (CID 110114466) is [4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone.
What is the SMILES notation for [4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone?
The canonical SMILES for [4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone is Cc1csc(C(=O)N2CCC(C)(c3ncc(C)s3)CC2)c1.
What is the InChIKey of [4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone?
The InChIKey is SEHBTSUQGVBJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS2/c1-11-8-13(20-10-11)14(19)18-6-4-16(3,5-7-18)15-17-9-12(2)21-15/h8-10H,4-7H2,1-3H3.
What are the key properties of [4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(4-methylthiophen-2-yl)methanone?
[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(4-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]-(4-methylthiophen-2-yl)methanone is sourced from PubChem (CID 110114466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).