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

C12H18N2O3S2 — CID 62046166

IUPACN-butyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide
SMILESCCCCN(C(=O)c1cscn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H18N2O3S2/c1-2-3-5-14(10-4-6-19(16,17)8-10)12(15)11-7-18-9-13-11/h7,9-10H,2-6,8H2,1H3
InChIKeySUFWGYPEFKMIMK-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.57
Rot. Bonds5

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

N-butyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 62046166) has the molecular formula C12H18N2O3S2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-butyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID62046166
Molecular FormulaC12H18N2O3S2
Molecular Weight302.42 g/mol
Exact Mass302.08
IUPAC NameN-butyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide
SMILESCCCCN(C(=O)c1cscn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C12H18N2O3S2/c1-2-3-5-14(10-4-6-19(16,17)8-10)12(15)11-7-18-9-13-11/h7,9-10H,2-6,8H2,1H3
InChIKeySUFWGYPEFKMIMK-UHFFFAOYSA-N
XLogP1.57
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[butyl-(1,1-dioxothiolan-3-yl)carbamoyl]pyridine-2-carboxylic acid
CID 119179473
N-butyl-N-(1,1-dioxothiolan-3-yl)-5-hydroxypyridine-3-carboxamide
CID 63858695
N-cyclohexyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide
CID 63050092
N-cyclobutyl-N-(3-hydroxypropyl)-1,3-thiazole-4-carboxamide
CID 102862752
N-butyl-N-(1,1-dioxothiolan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 55521334
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]thiophene-2-carboxamide
CID 7259974
N-butyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3,4-dimethylbenzamide
CID 7259541
N-butyl-N-(1,1-dioxothiolan-3-yl)-2,6-difluorobenzamide
CID 18573594
1-butyl-1-[(3S)-1,1-dioxothiolan-3-yl]-3-pentylurea
CID 97064600
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 134026793
N-butyl-N-(1,1-dioxothiolan-3-yl)-3-iodobenzamide
CID 55377393
N-butyl-N-(1,1-dioxothiolan-3-yl)-4-propan-2-yloxybenzamide
CID 18573555

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-butyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide (CID 62046166) is N-butyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-butyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-butyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide is CCCCN(C(=O)c1cscn1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-butyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is SUFWGYPEFKMIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S2/c1-2-3-5-14(10-4-6-19(16,17)8-10)12(15)11-7-18-9-13-11/h7,9-10H,2-6,8H2,1H3.
What are the key properties of N-butyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide?
N-butyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 302.42 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 62046166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).