4-methyl-2-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide

C18H25N3OS2 — CID 72909192

IUPAC4-methyl-2-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)NC1CCCN(Cc2cccs2)C1
InChIInChI=1S/C18H25N3OS2/c1-12(2)18-19-13(3)16(24-18)17(22)20-14-6-4-8-21(10-14)11-15-7-5-9-23-15/h5,7,9,12,14H,4,6,8,10-11H2,1-3H3,(H,20,22)
InChIKeyKZJVVSQOMKGVES-UHFFFAOYSA-N
MW363.55 g/mol
LogP4.03
Rot. Bonds5

About 4-methyl-2-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide

4-methyl-2-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 72909192) has the molecular formula C18H25N3OS2 and a molecular weight of 363.55 g/mol. Its IUPAC name is 4-methyl-2-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide
PubChem CID72909192
Molecular FormulaC18H25N3OS2
Molecular Weight363.55 g/mol
Exact Mass363.14
IUPAC Name4-methyl-2-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)NC1CCCN(Cc2cccs2)C1
InChIInChI=1S/C18H25N3OS2/c1-12(2)18-19-13(3)16(24-18)17(22)20-14-6-4-8-21(10-14)11-15-7-5-9-23-15/h5,7,9,12,14H,4,6,8,10-11H2,1-3H3,(H,20,22)
InChIKeyKZJVVSQOMKGVES-UHFFFAOYSA-N
XLogP4.03
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

5-acetyl-N-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]thiophene-3-carboxamide
CID 97438421
N-cyclopropyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 71941859
N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 74247458
4-oxo-N-[(3R)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3H-quinazoline-2-carboxamide
CID 137225427
N-[(3R,4R)-3-hydroxy-1-(pyridin-2-ylmethyl)piperidin-4-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 91839977
4-(3-hydroxy-3-methylbutyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]benzamide
CID 56911223
5-ethyl-4-(pyrrolidin-1-ylmethyl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]furan-2-carboxamide
CID 131889341
5-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 102602829
4-sulfamoyl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]butanamide
CID 131929491
5-oxo-5-phenyl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]pentanamide
CID 131905750
4-bromo-5-propan-2-yl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 56564994
N-[(3S)-3,4-dihydro-2H-chromen-3-yl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 97112669

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide (CID 72909192) is 4-methyl-2-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide is Cc1nc(C(C)C)sc1C(=O)NC1CCCN(Cc2cccs2)C1.
What is the InChIKey of 4-methyl-2-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is KZJVVSQOMKGVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3OS2/c1-12(2)18-19-13(3)16(24-18)17(22)20-14-6-4-8-21(10-14)11-15-7-5-9-23-15/h5,7,9,12,14H,4,6,8,10-11H2,1-3H3,(H,20,22).
What are the key properties of 4-methyl-2-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide?
4-methyl-2-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 363.55 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-yl-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 72909192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).