N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

C14H16N2O3S3 — CID 134012565

IUPACN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCCN(C(=O)c1csc(-c2ccsc2)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H16N2O3S3/c1-2-16(11-4-6-22(18,19)9-11)14(17)12-8-21-13(15-12)10-3-5-20-7-10/h3,5,7-8,11H,2,4,6,9H2,1H3
InChIKeyRHWSRTHUTYKSIK-UHFFFAOYSA-N
MW356.49 g/mol
LogP2.52
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 134012565) has the molecular formula C14H16N2O3S3 and a molecular weight of 356.49 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID134012565
Molecular FormulaC14H16N2O3S3
Molecular Weight356.49 g/mol
Exact Mass356.03
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCCN(C(=O)c1csc(-c2ccsc2)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C14H16N2O3S3/c1-2-16(11-4-6-22(18,19)9-11)14(17)12-8-21-13(15-12)10-3-5-20-7-10/h3,5,7-8,11H,2,4,6,9H2,1H3
InChIKeyRHWSRTHUTYKSIK-UHFFFAOYSA-N
XLogP2.52
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-propyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51230896
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CID 110694235
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 41075358
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N-(1,1-dioxothiolan-3-yl)-N-ethyl-5-iodothiophene-3-carboxamide
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CID 60739077
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CID 72852863
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 78811067
6-(diethylamino)-N-(1,1-dioxothiolan-3-yl)-N-ethylpyridazine-3-carboxamide
CID 109123689
4-bromo-N-[(3R)-1,1-dioxothiolan-3-yl]-N-ethylbenzamide
CID 7259739
N-(1,1-dioxothiolan-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 134012565) is N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is CCN(C(=O)c1csc(-c2ccsc2)n1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is RHWSRTHUTYKSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S3/c1-2-16(11-4-6-22(18,19)9-11)14(17)12-8-21-13(15-12)10-3-5-20-7-10/h3,5,7-8,11H,2,4,6,9H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 356.49 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 134012565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).