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

C17H23N3OS2 — CID 167926834

IUPAC4-methyl-N-[(4-methylthiophen-2-yl)methyl]-2-(piperidin-4-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1csc(CNC(=O)c2sc(CC3CCNCC3)nc2C)c1
InChIInChI=1S/C17H23N3OS2/c1-11-7-14(22-10-11)9-19-17(21)16-12(2)20-15(23-16)8-13-3-5-18-6-4-13/h7,10,13,18H,3-6,8-9H2,1-2H3,(H,19,21)
InChIKeySULISLLMWOPUDF-UHFFFAOYSA-N
MW349.53 g/mol
LogP3.29
Rot. Bonds5

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

4-methyl-N-[(4-methylthiophen-2-yl)methyl]-2-(piperidin-4-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 167926834) has the molecular formula C17H23N3OS2 and a molecular weight of 349.53 g/mol. Its IUPAC name is 4-methyl-N-[(4-methylthiophen-2-yl)methyl]-2-(piperidin-4-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(4-methylthiophen-2-yl)methyl]-2-(piperidin-4-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID167926834
Molecular FormulaC17H23N3OS2
Molecular Weight349.53 g/mol
Exact Mass349.13
IUPAC Name4-methyl-N-[(4-methylthiophen-2-yl)methyl]-2-(piperidin-4-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCc1csc(CNC(=O)c2sc(CC3CCNCC3)nc2C)c1
InChIInChI=1S/C17H23N3OS2/c1-11-7-14(22-10-11)9-19-17(21)16-12(2)20-15(23-16)8-13-3-5-18-6-4-13/h7,10,13,18H,3-6,8-9H2,1-2H3,(H,19,21)
InChIKeySULISLLMWOPUDF-UHFFFAOYSA-N
XLogP3.29
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.53
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-(isoquinolin-1-ylmethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 166276311
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole-5-carboxamide
CID 167764700
4-methyl-2-(piperidin-4-ylmethyl)-N-[3-(1H-pyrazol-4-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 166298901
5-(difluoromethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole
CID 84803170
5,6-dimethyl-2-(piperidin-4-ylmethyl)-1,3-benzothiazole
CID 84638397
4-methyl-2-[[[methyl(piperidin-4-yl)carbamoyl]amino]methyl]-1,3-thiazole-5-carboxylic acid
CID 63630361
2-(cyclopropylmethyl)-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 119046192
N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide
CID 61044449
2-(cyclopropylmethyl)-4-methyl-N-(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)-1,3-thiazole-5-carboxamide
CID 126791565
1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-one
CID 115090214
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-piperidin-4-ylacetamide
CID 61284018
N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-4-carboxamide;dihydrochloride
CID 119839235

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-methylthiophen-2-yl)methyl]-2-(piperidin-4-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[(4-methylthiophen-2-yl)methyl]-2-(piperidin-4-ylmethyl)-1,3-thiazole-5-carboxamide (CID 167926834) is 4-methyl-N-[(4-methylthiophen-2-yl)methyl]-2-(piperidin-4-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[(4-methylthiophen-2-yl)methyl]-2-(piperidin-4-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[(4-methylthiophen-2-yl)methyl]-2-(piperidin-4-ylmethyl)-1,3-thiazole-5-carboxamide is Cc1csc(CNC(=O)c2sc(CC3CCNCC3)nc2C)c1.
What is the InChIKey of 4-methyl-N-[(4-methylthiophen-2-yl)methyl]-2-(piperidin-4-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is SULISLLMWOPUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS2/c1-11-7-14(22-10-11)9-19-17(21)16-12(2)20-15(23-16)8-13-3-5-18-6-4-13/h7,10,13,18H,3-6,8-9H2,1-2H3,(H,19,21).
What are the key properties of 4-methyl-N-[(4-methylthiophen-2-yl)methyl]-2-(piperidin-4-ylmethyl)-1,3-thiazole-5-carboxamide?
4-methyl-N-[(4-methylthiophen-2-yl)methyl]-2-(piperidin-4-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 349.53 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-methylthiophen-2-yl)methyl]-2-(piperidin-4-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 167926834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).