N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-phenylpropan-2-amine;hydrochloride

C15H21ClN2S — CID 11971059

IUPACN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-phenylpropan-2-amine;hydrochloride
SMILESCc1ncsc1CCNC(C)Cc1ccccc1.Cl
InChIInChI=1S/C15H20N2S.ClH/c1-12(10-14-6-4-3-5-7-14)16-9-8-15-13(2)17-11-18-15;/h3-7,11-12,16H,8-10H2,1-2H3;1H
InChIKeyITGDDJYQYHYHRF-UHFFFAOYSA-N
MW296.87 g/mol
LogP3.64
Rot. Bonds6

About N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-phenylpropan-2-amine;hydrochloride

N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-phenylpropan-2-amine;hydrochloride (PubChem CID 11971059) has the molecular formula C15H21ClN2S and a molecular weight of 296.87 g/mol. Its IUPAC name is N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-phenylpropan-2-amine;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-phenylpropan-2-amine;hydrochloride
PubChem CID11971059
Molecular FormulaC15H21ClN2S
Molecular Weight296.87 g/mol
Exact Mass296.11
IUPAC NameN-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-phenylpropan-2-amine;hydrochloride
SMILESCc1ncsc1CCNC(C)Cc1ccccc1.Cl
InChIInChI=1S/C15H20N2S.ClH/c1-12(10-14-6-4-3-5-7-14)16-9-8-15-13(2)17-11-18-15;/h3-7,11-12,16H,8-10H2,1-2H3;1H
InChIKeyITGDDJYQYHYHRF-UHFFFAOYSA-N
XLogP3.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.87
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-phenylpropan-2-amine;hydrochloride?
The IUPAC name of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-phenylpropan-2-amine;hydrochloride (CID 11971059) is N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-phenylpropan-2-amine;hydrochloride.
What is the SMILES notation for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-phenylpropan-2-amine;hydrochloride?
The canonical SMILES for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-phenylpropan-2-amine;hydrochloride is Cc1ncsc1CCNC(C)Cc1ccccc1.Cl.
What is the InChIKey of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-phenylpropan-2-amine;hydrochloride?
The InChIKey is ITGDDJYQYHYHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S.ClH/c1-12(10-14-6-4-3-5-7-14)16-9-8-15-13(2)17-11-18-15;/h3-7,11-12,16H,8-10H2,1-2H3;1H.
What are the key properties of N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-phenylpropan-2-amine;hydrochloride?
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-phenylpropan-2-amine;hydrochloride has a molecular weight of 296.87 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-phenylpropan-2-amine;hydrochloride is sourced from PubChem (CID 11971059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).