N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide

C13H17N3O2S — CID 47447577

IUPACN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCC(c2ccco2)N(C)C)cs1
InChIInChI=1S/C13H17N3O2S/c1-9-15-10(8-19-9)13(17)14-7-11(16(2)3)12-5-4-6-18-12/h4-6,8,11H,7H2,1-3H3,(H,14,17)
InChIKeyDKJSRKXVOXEAPR-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.08
Rot. Bonds5

About N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 47447577) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID47447577
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)NCC(c2ccco2)N(C)C)cs1
InChIInChI=1S/C13H17N3O2S/c1-9-15-10(8-19-9)13(17)14-7-11(16(2)3)12-5-4-6-18-12/h4-6,8,11H,7H2,1-3H3,(H,14,17)
InChIKeyDKJSRKXVOXEAPR-UHFFFAOYSA-N
XLogP2.08
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-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-acetamido-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 39038795
2-N,6-N-bis[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-2,6-dicarboxamide
CID 46604974
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 86911956
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]quinoline-2-carboxamide
CID 51162742
2-amino-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 62792596
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylbenzamide
CID 26818992
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]benzamide;hydrochloride
CID 20994951
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 51195690
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 51251068
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2,3-dimethylbenzamide
CID 51162753
6-bromo-N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]pyridine-3-carboxamide
CID 66462156
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110621188

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide (CID 47447577) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)NCC(c2ccco2)N(C)C)cs1.
What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is DKJSRKXVOXEAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9-15-10(8-19-9)13(17)14-7-11(16(2)3)12-5-4-6-18-12/h4-6,8,11H,7H2,1-3H3,(H,14,17).
What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 47447577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).