4-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]thiophene-2-carboxamide

C14H17N3OS2 — CID 90597173

IUPAC4-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)NC2CCN(c3nccs3)CC2)c1
InChIInChI=1S/C14H17N3OS2/c1-10-8-12(20-9-10)13(18)16-11-2-5-17(6-3-11)14-15-4-7-19-14/h4,7-9,11H,2-3,5-6H2,1H3,(H,16,18)
InChIKeyVCVDLZKMTKGNMH-UHFFFAOYSA-N
MW307.44 g/mol
LogP2.91
Rot. Bonds3

About 4-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]thiophene-2-carboxamide

4-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]thiophene-2-carboxamide (PubChem CID 90597173) has the molecular formula C14H17N3OS2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 4-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]thiophene-2-carboxamide
PubChem CID90597173
Molecular FormulaC14H17N3OS2
Molecular Weight307.44 g/mol
Exact Mass307.08
IUPAC Name4-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]thiophene-2-carboxamide
SMILESCc1csc(C(=O)NC2CCN(c3nccs3)CC2)c1
InChIInChI=1S/C14H17N3OS2/c1-10-8-12(20-9-10)13(18)16-11-2-5-17(6-3-11)14-15-4-7-19-14/h4,7-9,11H,2-3,5-6H2,1H3,(H,16,18)
InChIKeyVCVDLZKMTKGNMH-UHFFFAOYSA-N
XLogP2.91
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597214
2-methylsulfanyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597201
4-phenyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597412
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]furan-2-carboxamide
CID 73168320
3-(3-methylthiophen-2-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide
CID 90597292
4-butoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 90597226
2,3-dimethoxy-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]benzamide
CID 71810013
3-(4-chloro-3-methylphenyl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide
CID 90597302
2,4-dimethyl-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 121144771
N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 90597429
(2S)-N-cycloheptyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanamide
CID 30138516
(3aR,7aS)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
CID 138045032

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]thiophene-2-carboxamide?
The IUPAC name of 4-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]thiophene-2-carboxamide (CID 90597173) is 4-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]thiophene-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]thiophene-2-carboxamide?
The canonical SMILES for 4-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]thiophene-2-carboxamide is Cc1csc(C(=O)NC2CCN(c3nccs3)CC2)c1.
What is the InChIKey of 4-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]thiophene-2-carboxamide?
The InChIKey is VCVDLZKMTKGNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS2/c1-10-8-12(20-9-10)13(18)16-11-2-5-17(6-3-11)14-15-4-7-19-14/h4,7-9,11H,2-3,5-6H2,1H3,(H,16,18).
What are the key properties of 4-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]thiophene-2-carboxamide?
4-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]thiophene-2-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]thiophene-2-carboxamide is sourced from PubChem (CID 90597173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).