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

C15H18N2O3S3 — CID 51230896

IUPACN-(1,1-dioxothiolan-3-yl)-N-propyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCCCN(C(=O)c1csc(-c2ccsc2)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H18N2O3S3/c1-2-5-17(12-4-7-23(19,20)10-12)15(18)13-9-22-14(16-13)11-3-6-21-8-11/h3,6,8-9,12H,2,4-5,7,10H2,1H3
InChIKeyCDPVVBUNCBTRES-UHFFFAOYSA-N
MW370.52 g/mol
LogP2.91
Rot. Bonds5

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

N-(1,1-dioxothiolan-3-yl)-N-propyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 51230896) has the molecular formula C15H18N2O3S3 and a molecular weight of 370.52 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-N-propyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-N-propyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID51230896
Molecular FormulaC15H18N2O3S3
Molecular Weight370.52 g/mol
Exact Mass370.05
IUPAC NameN-(1,1-dioxothiolan-3-yl)-N-propyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCCCN(C(=O)c1csc(-c2ccsc2)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H18N2O3S3/c1-2-5-17(12-4-7-23(19,20)10-12)15(18)13-9-22-14(16-13)11-3-6-21-8-11/h3,6,8-9,12H,2,4-5,7,10H2,1H3
InChIKeyCDPVVBUNCBTRES-UHFFFAOYSA-N
XLogP2.91
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(1,1-dioxothiolan-3-yl)-N-propyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 134012565
6-[(1,1-dioxothiolan-3-yl)-propylcarbamoyl]pyridine-2-carboxylic acid
CID 119179508
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 41075358
N-piperidin-4-yl-N-propyl-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 166298535
N-butyl-N-(1,1-dioxothiolan-3-yl)-1,3-thiazole-4-carboxamide
CID 62046166
N-(1,1-dioxothiolan-3-yl)-N-ethyl-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 110694235
N-(1,1-dioxothiolan-3-yl)-1,3-dimethyl-2,4-dioxo-N-propylpyrido[2,3-d]pyrimidine-7-carboxamide
CID 55582930
6-[butyl-(1,1-dioxothiolan-3-yl)carbamoyl]pyridine-2-carboxylic acid
CID 119179473
N-(1,1-dioxothiolan-3-yl)-2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetamide
CID 46558909
N-butyl-N-(1,1-dioxothiolan-3-yl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 55521334
N-ethyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 51229416
N-(1,1-dioxothiolan-3-yl)-N-propylacetamide
CID 3386590

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-propyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-N-propyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 51230896) is N-(1,1-dioxothiolan-3-yl)-N-propyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-N-propyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-N-propyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is CCCN(C(=O)c1csc(-c2ccsc2)n1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-N-propyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is CDPVVBUNCBTRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S3/c1-2-5-17(12-4-7-23(19,20)10-12)15(18)13-9-22-14(16-13)11-3-6-21-8-11/h3,6,8-9,12H,2,4-5,7,10H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-N-propyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide?
N-(1,1-dioxothiolan-3-yl)-N-propyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 2.91, 5 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-propyl-2-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 51230896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).