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

C16H18N2O3S2 — CID 17398664

IUPACN-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
SMILESCCc1ccc(-c2nc(C(=O)NC3CCS(=O)(=O)C3)cs2)cc1
InChIInChI=1S/C16H18N2O3S2/c1-2-11-3-5-12(6-4-11)16-18-14(9-22-16)15(19)17-13-7-8-23(20,21)10-13/h3-6,9,13H,2,7-8,10H2,1H3,(H,17,19)
InChIKeyICRQSOKWMWFAFR-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.29
Rot. Bonds4

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

N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 17398664) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID17398664
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide
SMILESCCc1ccc(-c2nc(C(=O)NC3CCS(=O)(=O)C3)cs2)cc1
InChIInChI=1S/C16H18N2O3S2/c1-2-11-3-5-12(6-4-11)16-18-14(9-22-16)15(19)17-13-7-8-23(20,21)10-13/h3-6,9,13H,2,7-8,10H2,1H3,(H,17,19)
InChIKeyICRQSOKWMWFAFR-UHFFFAOYSA-N
XLogP2.29
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-1,1-dioxothiolan-3-yl]-3-[[2-(4-ethylphenyl)-1,3-thiazole-4-carbonyl]amino]urea
CID 41131411
2-(2,3-dimethoxyphenyl)-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide
CID 42945606
2-(4-chlorophenyl)-N-cyclopropyl-1,3-thiazole-4-carboxamide
CID 26736860
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 4962607
[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 8815676
1-(1,1-dioxothiolan-3-yl)-3-ethyl-2-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]guanidine
CID 111140611
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 41075358
6-N-butan-2-yl-2-N-(1,1-dioxothiolan-3-yl)pyridine-2,6-dicarboxamide
CID 109094612
2-(4-ethoxyphenyl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 119385999
N-(1,1-dioxothian-4-yl)-4-ethylpyridine-2-carboxamide
CID 146125648
1-(1,1-dioxothiolan-3-yl)-3-[2-(4-ethylphenyl)ethyl]-2-methylguanidine
CID 111780853
N-(1,1-dioxothiolan-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 46558909

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide (CID 17398664) is N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide is CCc1ccc(-c2nc(C(=O)NC3CCS(=O)(=O)C3)cs2)cc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ICRQSOKWMWFAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-2-11-3-5-12(6-4-11)16-18-14(9-22-16)15(19)17-13-7-8-23(20,21)10-13/h3-6,9,13H,2,7-8,10H2,1H3,(H,17,19).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide?
N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-(4-ethylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 17398664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).