N-(2-amino-2-sulfanylideneethyl)-N'-(6-chloro-1,3-benzothiazol-2-yl)oxamide

C11H9ClN4O2S2 — CID 43316191

IUPACN-(2-amino-2-sulfanylideneethyl)-N'-(6-chloro-1,3-benzothiazol-2-yl)oxamide
SMILESNC(=S)CNC(=O)C(=O)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C11H9ClN4O2S2/c12-5-1-2-6-7(3-5)20-11(15-6)16-10(18)9(17)14-4-8(13)19/h1-3H,4H2,(H2,13,19)(H,14,17)(H,15,16,18)
InChIKeyMGIHEDOWBSAJCM-UHFFFAOYSA-N
MW328.81 g/mol
LogP1.29
Rot. Bonds3

About N-(2-amino-2-sulfanylideneethyl)-N'-(6-chloro-1,3-benzothiazol-2-yl)oxamide

N-(2-amino-2-sulfanylideneethyl)-N'-(6-chloro-1,3-benzothiazol-2-yl)oxamide (PubChem CID 43316191) has the molecular formula C11H9ClN4O2S2 and a molecular weight of 328.81 g/mol. Its IUPAC name is N-(2-amino-2-sulfanylideneethyl)-N'-(6-chloro-1,3-benzothiazol-2-yl)oxamide.

Molecular Properties

Compound NameN-(2-amino-2-sulfanylideneethyl)-N'-(6-chloro-1,3-benzothiazol-2-yl)oxamide
PubChem CID43316191
Molecular FormulaC11H9ClN4O2S2
Molecular Weight328.81 g/mol
Exact Mass327.99
IUPAC NameN-(2-amino-2-sulfanylideneethyl)-N'-(6-chloro-1,3-benzothiazol-2-yl)oxamide
SMILESNC(=S)CNC(=O)C(=O)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C11H9ClN4O2S2/c12-5-1-2-6-7(3-5)20-11(15-6)16-10(18)9(17)14-4-8(13)19/h1-3H,4H2,(H2,13,19)(H,14,17)(H,15,16,18)
InChIKeyMGIHEDOWBSAJCM-UHFFFAOYSA-N
XLogP1.29
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.81
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze N-(2-amino-2-sulfanylideneethyl)-N'-(6-chloro-1,3-benzothiazol-2-yl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-carbamothioyl-N-(6-chloro-1,3-benzothiazol-2-yl)cyclopropane-1-carboxamide
CID 80592716
N-(6-chloro-1,3-benzothiazol-2-yl)-2-phosphonatoacetamide
CID 2075016
4-chloro-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 739315
N-(6-chloro-1,3-benzothiazol-2-yl)cyclobutanecarboxamide
CID 836745
3-[(6-chloro-1,3-benzothiazol-2-yl)carbamoylamino]propanoic acid
CID 61183125
2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 79790796
N-(6-chloro-1,3-benzothiazol-2-yl)-2,2,2-trifluoroacetamide
CID 4099366
1-N,2-N-bis(6-chloro-1,3-benzothiazol-2-yl)benzene-1,2-dicarboxamide
CID 4651435
4-[(6-chloro-1,3-benzothiazol-2-yl)amino]butanamide
CID 79526160
3,5-diamino-N-(6-chloro-1,3-benzothiazol-2-yl)benzamide
CID 61091396
6-[(6-chloro-1,3-benzothiazol-2-yl)amino]-6-oxohexanoic acid
CID 43529458
(2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-methylpentanamide
CID 14285781

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(6-chloro-1,3-benzothiazol-2-yl)oxamide?
The IUPAC name of N-(2-amino-2-sulfanylideneethyl)-N'-(6-chloro-1,3-benzothiazol-2-yl)oxamide (CID 43316191) is N-(2-amino-2-sulfanylideneethyl)-N'-(6-chloro-1,3-benzothiazol-2-yl)oxamide.
What is the SMILES notation for N-(2-amino-2-sulfanylideneethyl)-N'-(6-chloro-1,3-benzothiazol-2-yl)oxamide?
The canonical SMILES for N-(2-amino-2-sulfanylideneethyl)-N'-(6-chloro-1,3-benzothiazol-2-yl)oxamide is NC(=S)CNC(=O)C(=O)Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of N-(2-amino-2-sulfanylideneethyl)-N'-(6-chloro-1,3-benzothiazol-2-yl)oxamide?
The InChIKey is MGIHEDOWBSAJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2S2/c12-5-1-2-6-7(3-5)20-11(15-6)16-10(18)9(17)14-4-8(13)19/h1-3H,4H2,(H2,13,19)(H,14,17)(H,15,16,18).
What are the key properties of N-(2-amino-2-sulfanylideneethyl)-N'-(6-chloro-1,3-benzothiazol-2-yl)oxamide?
N-(2-amino-2-sulfanylideneethyl)-N'-(6-chloro-1,3-benzothiazol-2-yl)oxamide has a molecular weight of 328.81 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-sulfanylideneethyl)-N'-(6-chloro-1,3-benzothiazol-2-yl)oxamide is sourced from PubChem (CID 43316191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).