[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methanamine;hydrochloride

C10H10Cl2N2S — CID 2794737

IUPAC[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methanamine;hydrochloride
SMILESCl.NCc1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C10H9ClN2S.ClH/c11-8-3-1-7(2-4-8)10-13-9(5-12)6-14-10;/h1-4,6H,5,12H2;1H
InChIKeyPNBZPHKDYJHRSP-UHFFFAOYSA-N
MW261.18 g/mol
LogP3.34
Rot. Bonds2

About [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methanamine;hydrochloride

[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methanamine;hydrochloride (PubChem CID 2794737) has the molecular formula C10H10Cl2N2S and a molecular weight of 261.18 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methanamine;hydrochloride
PubChem CID2794737
Molecular FormulaC10H10Cl2N2S
Molecular Weight261.18 g/mol
Exact Mass259.99
IUPAC Name[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methanamine;hydrochloride
SMILESCl.NCc1csc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C10H9ClN2S.ClH/c11-8-3-1-7(2-4-8)10-13-9(5-12)6-14-10;/h1-4,6H,5,12H2;1H
InChIKeyPNBZPHKDYJHRSP-UHFFFAOYSA-N
XLogP3.34
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.18
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methanamine;hydrochloride?
The IUPAC name of [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methanamine;hydrochloride (CID 2794737) is [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methanamine;hydrochloride?
The canonical SMILES for [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methanamine;hydrochloride is Cl.NCc1csc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methanamine;hydrochloride?
The InChIKey is PNBZPHKDYJHRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2S.ClH/c11-8-3-1-7(2-4-8)10-13-9(5-12)6-14-10;/h1-4,6H,5,12H2;1H.
What are the key properties of [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methanamine;hydrochloride?
[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methanamine;hydrochloride has a molecular weight of 261.18 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-1,3-thiazol-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 2794737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).