ethyl N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]carbamate

C11H13N3O2S — CID 6013283

IUPACethyl N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]carbamate
SMILESCCOC(=O)N/N=c1\sc2ccccc2n1C
InChIInChI=1S/C11H13N3O2S/c1-3-16-11(15)13-12-10-14(2)8-6-4-5-7-9(8)17-10/h4-7H,3H2,1-2H3,(H,13,15)/b12-10-
InChIKeyZEDVLFMBPNIZSF-BENRWUELSA-N
MW251.31 g/mol
LogP1.80
Rot. Bonds2

About ethyl N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]carbamate

ethyl N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]carbamate (PubChem CID 6013283) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is ethyl N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]carbamate.

Molecular Properties

Compound Nameethyl N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]carbamate
PubChem CID6013283
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Nameethyl N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]carbamate
SMILESCCOC(=O)N/N=c1\sc2ccccc2n1C
InChIInChI=1S/C11H13N3O2S/c1-3-16-11(15)13-12-10-14(2)8-6-4-5-7-9(8)17-10/h4-7H,3H2,1-2H3,(H,13,15)/b12-10-
InChIKeyZEDVLFMBPNIZSF-BENRWUELSA-N
XLogP1.80
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]thiourea
CID 5407964
[(3-methyl-1,3-benzothiazol-2-ylidene)amino]thiourea
CID 798473
N-[(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-propylsulfonylacetamide
CID 76869138
1-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-prop-2-ynylurea
CID 98433969
2-(3,4-dimethylphenyl)-N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]acetamide
CID 7928815
N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-(4-methylphenoxy)propanamide
CID 7928957
2-fluoro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide
CID 6900936
2-bromo-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]benzamide
CID 6900940
N-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(4-propanoylphenoxy)acetamide
CID 7928967
(2R)-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2-(2,2,2-trifluoroethoxy)propanamide
CID 98574529
2,5-dichloro-N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]thiophene-3-carboxamide
CID 7087730
N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-3-[(2-phenylacetyl)amino]propanamide
CID 43054265

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]carbamate?
The IUPAC name of ethyl N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]carbamate (CID 6013283) is ethyl N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]carbamate.
What is the SMILES notation for ethyl N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]carbamate?
The canonical SMILES for ethyl N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]carbamate is CCOC(=O)N/N=c1\sc2ccccc2n1C.
What is the InChIKey of ethyl N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]carbamate?
The InChIKey is ZEDVLFMBPNIZSF-BENRWUELSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-3-16-11(15)13-12-10-14(2)8-6-4-5-7-9(8)17-10/h4-7H,3H2,1-2H3,(H,13,15)/b12-10-.
What are the key properties of ethyl N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]carbamate?
ethyl N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]carbamate has a molecular weight of 251.31 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]carbamate is sourced from PubChem (CID 6013283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).