N-(furan-2-ylmethyl)-4-methyl-2-(3-methylbutylamino)-1,3-thiazole-5-carboxamide

C15H21N3O2S — CID 45491510

IUPACN-(furan-2-ylmethyl)-4-methyl-2-(3-methylbutylamino)-1,3-thiazole-5-carboxamide
SMILESCc1nc(NCCC(C)C)sc1C(=O)NCc1ccco1
InChIInChI=1S/C15H21N3O2S/c1-10(2)6-7-16-15-18-11(3)13(21-15)14(19)17-9-12-5-4-8-20-12/h4-5,8,10H,6-7,9H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyJKSRBQHCWDJJTC-UHFFFAOYSA-N
MW307.42 g/mol
LogP3.43
Rot. Bonds7

About N-(furan-2-ylmethyl)-4-methyl-2-(3-methylbutylamino)-1,3-thiazole-5-carboxamide

N-(furan-2-ylmethyl)-4-methyl-2-(3-methylbutylamino)-1,3-thiazole-5-carboxamide (PubChem CID 45491510) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-methyl-2-(3-methylbutylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-methyl-2-(3-methylbutylamino)-1,3-thiazole-5-carboxamide
PubChem CID45491510
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-(furan-2-ylmethyl)-4-methyl-2-(3-methylbutylamino)-1,3-thiazole-5-carboxamide
SMILESCc1nc(NCCC(C)C)sc1C(=O)NCc1ccco1
InChIInChI=1S/C15H21N3O2S/c1-10(2)6-7-16-15-18-11(3)13(21-15)14(19)17-9-12-5-4-8-20-12/h4-5,8,10H,6-7,9H2,1-3H3,(H,16,18)(H,17,19)
InChIKeyJKSRBQHCWDJJTC-UHFFFAOYSA-N
XLogP3.43
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(furan-2-ylmethyl)-4-methyl-2-(3-methylbutylamino)-1,3-thiazole-5-carboxamide 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

2-(aminomethyl)-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 82119492
N-(furan-2-ylmethyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109303470
tert-butyl N-[[5-(furan-2-ylmethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]methyl]carbamate
CID 110675610
N-(3,4-dimethoxyphenyl)-2-(furan-2-ylmethylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152853
N-[2-(furan-2-yl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47015184
N-(furan-2-ylmethyl)-4-methylthiadiazole-5-carboxamide
CID 7576752
N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazole-2-carboxamide
CID 110696290
N-(furan-2-ylmethyl)-6-(3-methylbutylamino)-2-phenylpyrimidine-4-carboxamide
CID 112853943
2-(furan-2-ylmethylamino)-4-methyl-N-(3-methylsulfanylphenyl)-1,3-thiazole-5-carboxamide
CID 53152856
N-(furan-2-ylmethyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 9167847
2-amino-N-[3-(furan-2-yl)propyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 56711673
1-N-(furan-2-ylmethyl)-3-N-(3-methylbutyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070128

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-methyl-2-(3-methylbutylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-methyl-2-(3-methylbutylamino)-1,3-thiazole-5-carboxamide (CID 45491510) is N-(furan-2-ylmethyl)-4-methyl-2-(3-methylbutylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-methyl-2-(3-methylbutylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-methyl-2-(3-methylbutylamino)-1,3-thiazole-5-carboxamide is Cc1nc(NCCC(C)C)sc1C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-methyl-2-(3-methylbutylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is JKSRBQHCWDJJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-10(2)6-7-16-15-18-11(3)13(21-15)14(19)17-9-12-5-4-8-20-12/h4-5,8,10H,6-7,9H2,1-3H3,(H,16,18)(H,17,19).
What are the key properties of N-(furan-2-ylmethyl)-4-methyl-2-(3-methylbutylamino)-1,3-thiazole-5-carboxamide?
N-(furan-2-ylmethyl)-4-methyl-2-(3-methylbutylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-methyl-2-(3-methylbutylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 45491510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).