[2-(1,3-benzoxazol-2-ylsulfanyl)-6-chlorophenyl]methanamine

C14H11ClN2OS — CID 55079140

IUPAC[2-(1,3-benzoxazol-2-ylsulfanyl)-6-chlorophenyl]methanamine
SMILESNCc1c(Cl)cccc1Sc1nc2ccccc2o1
InChIInChI=1S/C14H11ClN2OS/c15-10-4-3-7-13(9(10)8-16)19-14-17-11-5-1-2-6-12(11)18-14/h1-7H,8,16H2
InChIKeyHVHHPIAGZWWWFV-UHFFFAOYSA-N
MW290.78 g/mol
LogP4.09
Rot. Bonds3

About [2-(1,3-benzoxazol-2-ylsulfanyl)-6-chlorophenyl]methanamine

[2-(1,3-benzoxazol-2-ylsulfanyl)-6-chlorophenyl]methanamine (PubChem CID 55079140) has the molecular formula C14H11ClN2OS and a molecular weight of 290.78 g/mol. Its IUPAC name is [2-(1,3-benzoxazol-2-ylsulfanyl)-6-chlorophenyl]methanamine.

Molecular Properties

Compound Name[2-(1,3-benzoxazol-2-ylsulfanyl)-6-chlorophenyl]methanamine
PubChem CID55079140
Molecular FormulaC14H11ClN2OS
Molecular Weight290.78 g/mol
Exact Mass290.03
IUPAC Name[2-(1,3-benzoxazol-2-ylsulfanyl)-6-chlorophenyl]methanamine
SMILESNCc1c(Cl)cccc1Sc1nc2ccccc2o1
InChIInChI=1S/C14H11ClN2OS/c15-10-4-3-7-13(9(10)8-16)19-14-17-11-5-1-2-6-12(11)18-14/h1-7H,8,16H2
InChIKeyHVHHPIAGZWWWFV-UHFFFAOYSA-N
XLogP4.09
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(1,3-benzoxazol-2-ylsulfanyl)-3-fluorophenyl]methanamine
CID 43657650
4-(1,3-benzoxazol-2-ylsulfanyl)-3-chlorobenzenesulfonamide
CID 23501102
2-(1,3-benzoxazol-2-ylsulfanyl)-1-phenylethanamine
CID 55241119
[2-(1,3-benzoxazol-2-ylsulfanyl)-4-methoxyphenyl]methanamine
CID 81304611
(2-chloro-6-methylsulfanylphenyl)methanamine
CID 62495314
4-(1,3-benzoxazol-2-ylsulfanyl)chromen-2-one
CID 23962876
[2-chloro-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine
CID 62497494
[3-(1,3-benzoxazol-2-ylsulfanyl)-2-nitrophenyl]hydrazine
CID 80924012
[2-chloro-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanamine
CID 62497328
3-(1,3-benzoxazol-2-ylsulfanyl)butan-1-amine
CID 60915392
N-[[2-(1,3-benzoxazol-2-ylsulfanyl)-5-chlorophenyl]methyl]ethanamine
CID 114864141
2-(1,3-benzoxazol-2-ylsulfanyl)pyrimidin-4-amine
CID 116798176

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzoxazol-2-ylsulfanyl)-6-chlorophenyl]methanamine?
The IUPAC name of [2-(1,3-benzoxazol-2-ylsulfanyl)-6-chlorophenyl]methanamine (CID 55079140) is [2-(1,3-benzoxazol-2-ylsulfanyl)-6-chlorophenyl]methanamine.
What is the SMILES notation for [2-(1,3-benzoxazol-2-ylsulfanyl)-6-chlorophenyl]methanamine?
The canonical SMILES for [2-(1,3-benzoxazol-2-ylsulfanyl)-6-chlorophenyl]methanamine is NCc1c(Cl)cccc1Sc1nc2ccccc2o1.
What is the InChIKey of [2-(1,3-benzoxazol-2-ylsulfanyl)-6-chlorophenyl]methanamine?
The InChIKey is HVHHPIAGZWWWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2OS/c15-10-4-3-7-13(9(10)8-16)19-14-17-11-5-1-2-6-12(11)18-14/h1-7H,8,16H2.
What are the key properties of [2-(1,3-benzoxazol-2-ylsulfanyl)-6-chlorophenyl]methanamine?
[2-(1,3-benzoxazol-2-ylsulfanyl)-6-chlorophenyl]methanamine has a molecular weight of 290.78 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzoxazol-2-ylsulfanyl)-6-chlorophenyl]methanamine is sourced from PubChem (CID 55079140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).