[2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methanamine

C11H11ClN2S2 — CID 66143026

IUPAC[2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(CSc2ccc(Cl)cc2)s1
InChIInChI=1S/C11H11ClN2S2/c12-8-1-3-9(4-2-8)15-7-11-14-6-10(5-13)16-11/h1-4,6H,5,7,13H2
InChIKeyUTUXVODEVVPDNM-UHFFFAOYSA-N
MW270.81 g/mol
LogP3.55
Rot. Bonds4

About [2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methanamine

[2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methanamine (PubChem CID 66143026) has the molecular formula C11H11ClN2S2 and a molecular weight of 270.81 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methanamine
PubChem CID66143026
Molecular FormulaC11H11ClN2S2
Molecular Weight270.81 g/mol
Exact Mass270.01
IUPAC Name[2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(CSc2ccc(Cl)cc2)s1
InChIInChI=1S/C11H11ClN2S2/c12-8-1-3-9(4-2-8)15-7-11-14-6-10(5-13)16-11/h1-4,6H,5,7,13H2
InChIKeyUTUXVODEVVPDNM-UHFFFAOYSA-N
XLogP3.55
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.81
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methanamine (CID 66143026) is [2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methanamine is NCc1cnc(CSc2ccc(Cl)cc2)s1.
What is the InChIKey of [2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methanamine?
The InChIKey is UTUXVODEVVPDNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2S2/c12-8-1-3-9(4-2-8)15-7-11-14-6-10(5-13)16-11/h1-4,6H,5,7,13H2.
What are the key properties of [2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methanamine?
[2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methanamine has a molecular weight of 270.81 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 66143026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).