[3-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanamine

C11H12N2S2 — CID 66353488

IUPAC[3-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanamine
SMILESNCc1cccc(SCc2cscn2)c1
InChIInChI=1S/C11H12N2S2/c12-5-9-2-1-3-11(4-9)15-7-10-6-14-8-13-10/h1-4,6,8H,5,7,12H2
InChIKeyHBSPRWMLZNXFIR-UHFFFAOYSA-N
MW236.37 g/mol
LogP2.89
Rot. Bonds4

About [3-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanamine

[3-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanamine (PubChem CID 66353488) has the molecular formula C11H12N2S2 and a molecular weight of 236.37 g/mol. Its IUPAC name is [3-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanamine.

Molecular Properties

Compound Name[3-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanamine
PubChem CID66353488
Molecular FormulaC11H12N2S2
Molecular Weight236.37 g/mol
Exact Mass236.04
IUPAC Name[3-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanamine
SMILESNCc1cccc(SCc2cscn2)c1
InChIInChI=1S/C11H12N2S2/c12-5-9-2-1-3-11(4-9)15-7-10-6-14-8-13-10/h1-4,6,8H,5,7,12H2
InChIKeyHBSPRWMLZNXFIR-UHFFFAOYSA-N
XLogP2.89
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methyl]propan-1-amine
CID 66348256
[3-[(2-methyl-1,3-thiazol-5-yl)methylsulfanyl]phenyl]methanamine
CID 66353686
4-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazole
CID 91538393
[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]methanamine
CID 114934314
[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methanamine
CID 66354106
[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]phenyl]methanamine
CID 66354939
[3-[(3,4-dimethylphenyl)methylsulfanyl]phenyl]methanamine
CID 66353892
2-methyl-6-(1,3-thiazol-4-ylmethylsulfanyl)aniline
CID 79147482
1,3-thiazol-4-ylmethylsulfanylmethanamine
CID 130369230
(3-propylsulfanylphenyl)methanamine
CID 66356001
[3-(2-fluoropropylsulfanyl)phenyl]methanamine
CID 84669018
N-[[4-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methyl]propan-2-amine
CID 113384866

Frequently Asked Questions

What is the IUPAC name of [3-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanamine?
The IUPAC name of [3-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanamine (CID 66353488) is [3-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanamine.
What is the SMILES notation for [3-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanamine?
The canonical SMILES for [3-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanamine is NCc1cccc(SCc2cscn2)c1.
What is the InChIKey of [3-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanamine?
The InChIKey is HBSPRWMLZNXFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2S2/c12-5-9-2-1-3-11(4-9)15-7-10-6-14-8-13-10/h1-4,6,8H,5,7,12H2.
What are the key properties of [3-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanamine?
[3-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanamine has a molecular weight of 236.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanamine is sourced from PubChem (CID 66353488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).