N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,1-dioxothiolane-3-carboxamide

C15H16N2O3S2 — CID 75418385

IUPACN-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,1-dioxothiolane-3-carboxamide
SMILESO=C(Nc1ccc2nc(C3CC3)sc2c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H16N2O3S2/c18-14(10-5-6-22(19,20)8-10)16-11-3-4-12-13(7-11)21-15(17-12)9-1-2-9/h3-4,7,9-10H,1-2,5-6,8H2,(H,16,18)
InChIKeyZVOBLSRMIUDCHZ-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.55
Rot. Bonds3

About N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,1-dioxothiolane-3-carboxamide

N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,1-dioxothiolane-3-carboxamide (PubChem CID 75418385) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,1-dioxothiolane-3-carboxamide
PubChem CID75418385
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC NameN-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,1-dioxothiolane-3-carboxamide
SMILESO=C(Nc1ccc2nc(C3CC3)sc2c1)C1CCS(=O)(=O)C1
InChIInChI=1S/C15H16N2O3S2/c18-14(10-5-6-22(19,20)8-10)16-11-3-4-12-13(7-11)21-15(17-12)9-1-2-9/h3-4,7,9-10H,1-2,5-6,8H2,(H,16,18)
InChIKeyZVOBLSRMIUDCHZ-UHFFFAOYSA-N
XLogP2.55
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-1,3-benzothiazol-6-yl)-1,1-dioxothiolane-3-carboxamide
CID 126816709
1,1-dioxo-N-(2-pyrrolidin-1-yl-1,3-benzothiazol-6-yl)thiolane-3-carboxamide
CID 42932681
N-(3,4-dichlorophenyl)-1,1-dioxothiolane-3-carboxamide
CID 17466033
(3R)-N-(6-chloro-1,3-benzothiazol-2-yl)-1,1-dioxothiolane-3-carboxamide
CID 40952904
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,3-thiazolidine-4-carboxamide
CID 119306490
3-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)propanamide;hydrochloride
CID 119306495
N-cyclooctyl-N'-(2-cyclopropyl-1,3-benzothiazol-6-yl)oxamide
CID 71882814
4-amino-N-(2-cyclopropyl-1,3-benzothiazol-6-yl)butanamide
CID 119306517
(3R)-1-[(3S)-1,1-dioxothiolan-3-yl]-N-(2-methyl-1,3-benzothiazol-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 51939886
(3S)-N-(1H-indazol-5-yl)-1,1-dioxothiolane-3-carboxamide
CID 97079601
N-[4-(hydroxymethyl)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 64793559
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1-methylpyrazole-4-carboxamide
CID 51099308

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,1-dioxothiolane-3-carboxamide (CID 75418385) is N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,1-dioxothiolane-3-carboxamide is O=C(Nc1ccc2nc(C3CC3)sc2c1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,1-dioxothiolane-3-carboxamide?
The InChIKey is ZVOBLSRMIUDCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c18-14(10-5-6-22(19,20)8-10)16-11-3-4-12-13(7-11)21-15(17-12)9-1-2-9/h3-4,7,9-10H,1-2,5-6,8H2,(H,16,18).
What are the key properties of N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,1-dioxothiolane-3-carboxamide?
N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,1-dioxothiolane-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1,3-benzothiazol-6-yl)-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 75418385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).