N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide

C16H18N2O3S2 — CID 17421007

IUPACN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide
SMILESCCc1ccc(-c2csc(NC(=O)C3CCS(=O)(=O)C3)n2)cc1
InChIInChI=1S/C16H18N2O3S2/c1-2-11-3-5-12(6-4-11)14-9-22-16(17-14)18-15(19)13-7-8-23(20,21)10-13/h3-6,9,13H,2,7-8,10H2,1H3,(H,17,18,19)
InChIKeyDCEMPYCPEFTLFN-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.75
Rot. Bonds4

About N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide

N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide (PubChem CID 17421007) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide
PubChem CID17421007
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC NameN-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide
SMILESCCc1ccc(-c2csc(NC(=O)C3CCS(=O)(=O)C3)n2)cc1
InChIInChI=1S/C16H18N2O3S2/c1-2-11-3-5-12(6-4-11)14-9-22-16(17-14)18-15(19)13-7-8-23(20,21)10-13/h3-6,9,13H,2,7-8,10H2,1H3,(H,17,18,19)
InChIKeyDCEMPYCPEFTLFN-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide
CID 16566655
(3R)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide
CID 51534994
(3S)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide
CID 40938479
cis-(1R,2S)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 2453305
1,1-dioxo-N-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]thiolane-3-carboxamide
CID 47011446
(1S,2R,3S,4S)-3-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 124763901
(1R,2R,3R,4R)-3-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]carbamoyl]-7-propan-2-ylidenebicyclo[2.2.1]heptane-2-carboxylic acid
CID 129420429
(3S)-N-[4-(4-acetamido-2-fluorophenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide
CID 26207190
1-butanoyl-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide
CID 60546506
2,2-dichloro-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4072325
2-[(3S)-1,1-dioxothiolan-3-yl]-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 7222665
2-(4-acetamidophenyl)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 46667868

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide (CID 17421007) is N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide is CCc1ccc(-c2csc(NC(=O)C3CCS(=O)(=O)C3)n2)cc1.
What is the InChIKey of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide?
The InChIKey is DCEMPYCPEFTLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c1-2-11-3-5-12(6-4-11)14-9-22-16(17-14)18-15(19)13-7-8-23(20,21)10-13/h3-6,9,13H,2,7-8,10H2,1H3,(H,17,18,19).
What are the key properties of N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide?
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 17421007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).