2-benzyl-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide

C20H23N3O2S — CID 70720403

IUPAC2-benzyl-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(C(CNC(=O)c2csc(Cc3ccccc3)n2)N(C)C)o1
InChIInChI=1S/C20H23N3O2S/c1-14-9-10-18(25-14)17(23(2)3)12-21-20(24)16-13-26-19(22-16)11-15-7-5-4-6-8-15/h4-10,13,17H,11-12H2,1-3H3,(H,21,24)
InChIKeyLXLMDUBJQQRJJN-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.67
Rot. Bonds7

About 2-benzyl-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide

2-benzyl-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 70720403) has the molecular formula C20H23N3O2S and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-benzyl-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID70720403
Molecular FormulaC20H23N3O2S
Molecular Weight369.49 g/mol
Exact Mass369.15
IUPAC Name2-benzyl-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(C(CNC(=O)c2csc(Cc3ccccc3)n2)N(C)C)o1
InChIInChI=1S/C20H23N3O2S/c1-14-9-10-18(25-14)17(23(2)3)12-21-20(24)16-13-26-19(22-16)11-15-7-5-4-6-8-15/h4-10,13,17H,11-12H2,1-3H3,(H,21,24)
InChIKeyLXLMDUBJQQRJJN-UHFFFAOYSA-N
XLogP3.67
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-benzyl-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-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-benzyl-N-ethyl-1,3-thiazole-4-carboxamide
CID 38018562
2-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 86950398
N-[(2S)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]furan-2-carboxamide
CID 26834441
2-benzyl-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 38766578
N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]furan-2-carboxamide;hydrochloride
CID 146052539
2-benzyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 70739356
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47447577
2-benzyl-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide
CID 110436454
2-benzyl-N,N-bis(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 78863881
2-benzyl-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
CID 70713753
N-(3-aminopropyl)-2-benzyl-1,3-thiazole-4-carboxamide
CID 110465250
2-benzyl-1,3-thiazole-4-carboxylic acid;ethane
CID 91419300

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-benzyl-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 70720403) is 2-benzyl-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-benzyl-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-benzyl-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide is Cc1ccc(C(CNC(=O)c2csc(Cc3ccccc3)n2)N(C)C)o1.
What is the InChIKey of 2-benzyl-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is LXLMDUBJQQRJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2S/c1-14-9-10-18(25-14)17(23(2)3)12-21-20(24)16-13-26-19(22-16)11-15-7-5-4-6-8-15/h4-10,13,17H,11-12H2,1-3H3,(H,21,24).
What are the key properties of 2-benzyl-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide?
2-benzyl-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 70720403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).