N-[(6-methyl-1,3-benzothiazol-2-yl)amino]formamide

C9H9N3OS — CID 20696220

IUPACN-[(6-methyl-1,3-benzothiazol-2-yl)amino]formamide
SMILESCc1ccc2nc(NNC=O)sc2c1
InChIInChI=1S/C9H9N3OS/c1-6-2-3-7-8(4-6)14-9(11-7)12-10-5-13/h2-5H,1H3,(H,10,13)(H,11,12)
InChIKeyZTOUYDDHWCJLCW-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.68
Rot. Bonds3

About N-[(6-methyl-1,3-benzothiazol-2-yl)amino]formamide

N-[(6-methyl-1,3-benzothiazol-2-yl)amino]formamide (PubChem CID 20696220) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is N-[(6-methyl-1,3-benzothiazol-2-yl)amino]formamide.

Molecular Properties

Compound NameN-[(6-methyl-1,3-benzothiazol-2-yl)amino]formamide
PubChem CID20696220
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC NameN-[(6-methyl-1,3-benzothiazol-2-yl)amino]formamide
SMILESCc1ccc2nc(NNC=O)sc2c1
InChIInChI=1S/C9H9N3OS/c1-6-2-3-7-8(4-6)14-9(11-7)12-10-5-13/h2-5H,1H3,(H,10,13)(H,11,12)
InChIKeyZTOUYDDHWCJLCW-UHFFFAOYSA-N
XLogP1.68
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-N-(4-methylphenyl)-1,3-benzothiazol-2-amine
CID 12955114
6-methyl-N-(2,4,6-trimethylphenyl)-1,3-benzothiazol-2-amine
CID 79142410
6-methyl-N-(methyldiazenyl)-1,3-benzothiazol-2-amine
CID 19154621
N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine
CID 78908885
6-methyl-N-pyridin-2-yl-1,3-benzothiazol-2-amine
CID 132581595
(2E,4E)-N-(6-methyl-1,3-benzothiazol-2-yl)hexa-2,4-dienamide
CID 47143968
2,2-dimethyl-5-[[(6-methyl-1,3-benzothiazol-2-yl)amino]methylidene]-1,3-dioxane-4,6-dione
CID 18525258
4,4-dimethyl-N-(6-methyl-1,3-benzothiazol-2-yl)pent-2-enamide
CID 72689787
2-methyl-2-[(6-methyl-1,3-benzothiazol-2-yl)amino]propanamide
CID 79142506
1-(6-methyl-1,3-benzothiazol-2-yl)-3-propan-2-ylurea
CID 47173430
N-(2-chloro-5-methylphenyl)-6-methyl-1,3-benzothiazol-2-amine
CID 107637469
6-methyl-N-(2-methylcyclohexyl)-1,3-benzothiazol-2-amine
CID 78908981

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-1,3-benzothiazol-2-yl)amino]formamide?
The IUPAC name of N-[(6-methyl-1,3-benzothiazol-2-yl)amino]formamide (CID 20696220) is N-[(6-methyl-1,3-benzothiazol-2-yl)amino]formamide.
What is the SMILES notation for N-[(6-methyl-1,3-benzothiazol-2-yl)amino]formamide?
The canonical SMILES for N-[(6-methyl-1,3-benzothiazol-2-yl)amino]formamide is Cc1ccc2nc(NNC=O)sc2c1.
What is the InChIKey of N-[(6-methyl-1,3-benzothiazol-2-yl)amino]formamide?
The InChIKey is ZTOUYDDHWCJLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-6-2-3-7-8(4-6)14-9(11-7)12-10-5-13/h2-5H,1H3,(H,10,13)(H,11,12).
What are the key properties of N-[(6-methyl-1,3-benzothiazol-2-yl)amino]formamide?
N-[(6-methyl-1,3-benzothiazol-2-yl)amino]formamide has a molecular weight of 207.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-1,3-benzothiazol-2-yl)amino]formamide is sourced from PubChem (CID 20696220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).