1-(1,3-benzoxazol-2-ylsulfanyl)-N,N-dimethylmethanamine

C10H12N2OS — CID 119085238

IUPAC1-(1,3-benzoxazol-2-ylsulfanyl)-N,N-dimethylmethanamine
SMILESCN(C)CSc1nc2ccccc2o1
InChIInChI=1S/C10H12N2OS/c1-12(2)7-14-10-11-8-5-3-4-6-9(8)13-10/h3-6H,7H2,1-2H3
InChIKeyGWKLHQSYDBRWRT-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.44
Rot. Bonds3

About 1-(1,3-benzoxazol-2-ylsulfanyl)-N,N-dimethylmethanamine

1-(1,3-benzoxazol-2-ylsulfanyl)-N,N-dimethylmethanamine (PubChem CID 119085238) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-ylsulfanyl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-ylsulfanyl)-N,N-dimethylmethanamine
PubChem CID119085238
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name1-(1,3-benzoxazol-2-ylsulfanyl)-N,N-dimethylmethanamine
SMILESCN(C)CSc1nc2ccccc2o1
InChIInChI=1S/C10H12N2OS/c1-12(2)7-14-10-11-8-5-3-4-6-9(8)13-10/h3-6H,7H2,1-2H3
InChIKeyGWKLHQSYDBRWRT-UHFFFAOYSA-N
XLogP2.44
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(3,3-dimethylbutylsulfanyl)-1,3-benzoxazole
CID 69292158
9-(1,3-benzoxazol-2-ylsulfanyl)nonane-1-thiol
CID 105344726
2-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylethanamine
CID 53211552
iodomethane;2-methylsulfanyl-1,3-benzoxazole
CID 69051605
4-(1,3-benzoxazol-2-ylsulfanylmethyl)-N,N-dimethylbenzamide
CID 78761799
4-(1,3-benzoxazol-2-ylsulfanyl)butan-1-ol
CID 43510116
3-(1,3-benzoxazol-2-ylsulfanyl)propanal
CID 54119103
2-(1,3-benzoxazol-2-ylsulfanyl)-2-methylpropan-1-amine
CID 104523422
2-(1,3-benzoxazol-2-ylsulfanyl)-N-methyl-N-(1-phenylethyl)acetamide
CID 17403508
2-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]-methylamino]-2-methylpropanoic acid
CID 62817204
3-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpropan-1-amine
CID 61386489
2-[(3-methylphenyl)methylsulfanyl]-1,3-benzoxazole
CID 4299873

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-ylsulfanyl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(1,3-benzoxazol-2-ylsulfanyl)-N,N-dimethylmethanamine (CID 119085238) is 1-(1,3-benzoxazol-2-ylsulfanyl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(1,3-benzoxazol-2-ylsulfanyl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(1,3-benzoxazol-2-ylsulfanyl)-N,N-dimethylmethanamine is CN(C)CSc1nc2ccccc2o1.
What is the InChIKey of 1-(1,3-benzoxazol-2-ylsulfanyl)-N,N-dimethylmethanamine?
The InChIKey is GWKLHQSYDBRWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-12(2)7-14-10-11-8-5-3-4-6-9(8)13-10/h3-6H,7H2,1-2H3.
What are the key properties of 1-(1,3-benzoxazol-2-ylsulfanyl)-N,N-dimethylmethanamine?
1-(1,3-benzoxazol-2-ylsulfanyl)-N,N-dimethylmethanamine has a molecular weight of 208.29 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-ylsulfanyl)-N,N-dimethylmethanamine is sourced from PubChem (CID 119085238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).