N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide

C17H23N3O2S — CID 119813700

IUPACN-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCc1csc(-c2ccco2)n1)C1CCNCC1
InChIInChI=1S/C17H23N3O2S/c1-12(13-4-6-18-7-5-13)9-16(21)19-10-14-11-23-17(20-14)15-3-2-8-22-15/h2-3,8,11-13,18H,4-7,9-10H2,1H3,(H,19,21)
InChIKeyIPYHNEJXHUAVJA-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.05
Rot. Bonds6

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

N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide (PubChem CID 119813700) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide
PubChem CID119813700
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC NameN-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)NCc1csc(-c2ccco2)n1)C1CCNCC1
InChIInChI=1S/C17H23N3O2S/c1-12(13-4-6-18-7-5-13)9-16(21)19-10-14-11-23-17(20-14)15-3-2-8-22-15/h2-3,8,11-13,18H,4-7,9-10H2,1H3,(H,19,21)
InChIKeyIPYHNEJXHUAVJA-UHFFFAOYSA-N
XLogP3.05
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide
CID 119340800
N-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119900144
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-3-piperidin-4-ylbutanamide
CID 119681420
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]acetamide
CID 119813696
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]acetamide;hydrochloride
CID 119813695
4,4-difluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]cyclohexane-1-carboxamide
CID 122156451
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119878891
N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119882850
N-[(5-ethylthiophen-2-yl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119727881
1-cyclopropyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
CID 115593190
3-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398881
2-(furan-2-yl)-N-[(1-piperidin-4-yltriazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 166242880

Frequently Asked Questions

What is the IUPAC name of N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide (CID 119813700) is N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide is CC(CC(=O)NCc1csc(-c2ccco2)n1)C1CCNCC1.
What is the InChIKey of N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide?
The InChIKey is IPYHNEJXHUAVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-12(13-4-6-18-7-5-13)9-16(21)19-10-14-11-23-17(20-14)15-3-2-8-22-15/h2-3,8,11-13,18H,4-7,9-10H2,1H3,(H,19,21).
What are the key properties of N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide?
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide has a molecular weight of 333.46 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119813700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).