N-methoxy-1,3-benzothiazol-6-amine

C8H8N2OS — CID 90120001

IUPACN-methoxy-1,3-benzothiazol-6-amine
SMILESCONc1ccc2ncsc2c1
InChIInChI=1S/C8H8N2OS/c1-11-10-6-2-3-7-8(4-6)12-5-9-7/h2-5,10H,1H3
InChIKeyDTJDOVOZIRLSAA-UHFFFAOYSA-N
MW180.23 g/mol
LogP2.27
Rot. Bonds2

About N-methoxy-1,3-benzothiazol-6-amine

N-methoxy-1,3-benzothiazol-6-amine (PubChem CID 90120001) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is N-methoxy-1,3-benzothiazol-6-amine.

Molecular Properties

Compound NameN-methoxy-1,3-benzothiazol-6-amine
PubChem CID90120001
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC NameN-methoxy-1,3-benzothiazol-6-amine
SMILESCONc1ccc2ncsc2c1
InChIInChI=1S/C8H8N2OS/c1-11-10-6-2-3-7-8(4-6)12-5-9-7/h2-5,10H,1H3
InChIKeyDTJDOVOZIRLSAA-UHFFFAOYSA-N
XLogP2.27
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(1,3-benzothiazol-6-ylamino)-2-oxoacetate
CID 107800350
methyl 4-(1,3-benzothiazol-6-ylamino)butanoate
CID 107804839
2-amino-N-(1,3-benzothiazol-6-yl)-2-methylpropanamide
CID 83634070
N-(2-ethoxyethyl)-1,3-benzothiazol-6-amine
CID 107804703
N-(3,3-dimethylbutyl)-1,3-benzothiazol-6-amine
CID 107803721
N-[2-(4-methoxyphenyl)ethyl]-1,3-benzothiazol-6-amine
CID 103731094
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-1,3-benzothiazol-6-amine
CID 107803867
2-amino-N-(1,3-benzothiazol-6-yl)-2-ethylbutanamide
CID 107805169
N-(1,3-benzothiazol-6-yl)-2-(methylamino)propanamide
CID 107805211
3-(1,3-benzothiazol-6-ylamino)-2,2-dimethyl-3-oxopropanoic acid
CID 114002723
N-(1,3-benzothiazol-6-yl)-4-methylbenzamide
CID 2337792
3-(1,3-benzothiazol-6-ylamino)-2-methylbutanoic acid
CID 68784217

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1,3-benzothiazol-6-amine?
The IUPAC name of N-methoxy-1,3-benzothiazol-6-amine (CID 90120001) is N-methoxy-1,3-benzothiazol-6-amine.
What is the SMILES notation for N-methoxy-1,3-benzothiazol-6-amine?
The canonical SMILES for N-methoxy-1,3-benzothiazol-6-amine is CONc1ccc2ncsc2c1.
What is the InChIKey of N-methoxy-1,3-benzothiazol-6-amine?
The InChIKey is DTJDOVOZIRLSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-11-10-6-2-3-7-8(4-6)12-5-9-7/h2-5,10H,1H3.
What are the key properties of N-methoxy-1,3-benzothiazol-6-amine?
N-methoxy-1,3-benzothiazol-6-amine has a molecular weight of 180.23 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1,3-benzothiazol-6-amine is sourced from PubChem (CID 90120001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).