N-[3-(diethylcarbamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

C19H19N3O2S2 — CID 38823864

IUPACN-[3-(diethylcarbamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2csc(-c3ccsc3)n2)c1
InChIInChI=1S/C19H19N3O2S2/c1-3-22(4-2)19(24)13-6-5-7-15(10-13)20-17(23)16-12-26-18(21-16)14-8-9-25-11-14/h5-12H,3-4H2,1-2H3,(H,20,23)
InChIKeyKZYXEXMVAPQCSG-UHFFFAOYSA-N
MW385.51 g/mol
LogP4.61
Rot. Bonds6

About N-[3-(diethylcarbamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

N-[3-(diethylcarbamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 38823864) has the molecular formula C19H19N3O2S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[3-(diethylcarbamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylcarbamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID38823864
Molecular FormulaC19H19N3O2S2
Molecular Weight385.51 g/mol
Exact Mass385.09
IUPAC NameN-[3-(diethylcarbamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cccc(NC(=O)c2csc(-c3ccsc3)n2)c1
InChIInChI=1S/C19H19N3O2S2/c1-3-22(4-2)19(24)13-6-5-7-15(10-13)20-17(23)16-12-26-18(21-16)14-8-9-25-11-14/h5-12H,3-4H2,1-2H3,(H,20,23)
InChIKeyKZYXEXMVAPQCSG-UHFFFAOYSA-N
XLogP4.61
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-pyridin-4-yl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 39471735
methyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate
CID 61383522
N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51229416
N-(3-acetylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 18197950
N-[3-(diethylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51148639
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 37003412
ethyl 2-[ethyl-(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]acetate
CID 61021131
N-(4-amino-3,5-dichlorophenyl)-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 55450782
2-(4-bromothiophen-2-yl)-N-[3-(propylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 60549928
2-chloro-N-[3-(diethylcarbamoyl)phenyl]benzamide
CID 17194505
2-(4-methoxyphenyl)-N-[3-(methylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 18146251
N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 26712665

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(diethylcarbamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 38823864) is N-[3-(diethylcarbamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(diethylcarbamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(diethylcarbamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is CCN(CC)C(=O)c1cccc(NC(=O)c2csc(-c3ccsc3)n2)c1.
What is the InChIKey of N-[3-(diethylcarbamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is KZYXEXMVAPQCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S2/c1-3-22(4-2)19(24)13-6-5-7-15(10-13)20-17(23)16-12-26-18(21-16)14-8-9-25-11-14/h5-12H,3-4H2,1-2H3,(H,20,23).
What are the key properties of N-[3-(diethylcarbamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-[3-(diethylcarbamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylcarbamoyl)phenyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 38823864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).