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

C13H17ClN2S — CID 120558532

IUPAC[3-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
SMILESCC(C)c1csc(-c2cccc(CN)c2)n1.Cl
InChIInChI=1S/C13H16N2S.ClH/c1-9(2)12-8-16-13(15-12)11-5-3-4-10(6-11)7-14;/h3-6,8-9H,7,14H2,1-2H3;1H
InChIKeyMBQZAMKNBDALLZ-UHFFFAOYSA-N
MW268.81 g/mol
LogP3.81
Rot. Bonds3

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

[3-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride (PubChem CID 120558532) has the molecular formula C13H17ClN2S and a molecular weight of 268.81 g/mol. Its IUPAC name is [3-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
PubChem CID120558532
Molecular FormulaC13H17ClN2S
Molecular Weight268.81 g/mol
Exact Mass268.08
IUPAC Name[3-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
SMILESCC(C)c1csc(-c2cccc(CN)c2)n1.Cl
InChIInChI=1S/C13H16N2S.ClH/c1-9(2)12-8-16-13(15-12)11-5-3-4-10(6-11)7-14;/h3-6,8-9H,7,14H2,1-2H3;1H
InChIKeyMBQZAMKNBDALLZ-UHFFFAOYSA-N
XLogP3.81
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.81
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-propyl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride
CID 120558535
[3-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983736
2-[3-(aminomethyl)phenyl]-1,3-thiazole-4-carboxylic acid;hydrochloride
CID 52983591
[3-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983740
ethyl 2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]acetate
CID 107380235
2-[2-[3-(aminomethyl)phenyl]-1,3-thiazol-4-yl]-N-tert-butylacetamide
CID 110450278
2-(4-fluorophenyl)-4-propan-2-yl-1,3-thiazole
CID 20664385
1-(2-phenyl-1,3-thiazol-4-yl)ethanamine
CID 12009827
2-(4-iodophenyl)-4-propan-2-yl-1,3-thiazole
CID 21355336
[3-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]phenyl]methanamine
CID 20983781
[3-(2-butan-2-yl-1,3-thiazol-4-yl)phenyl]methanamine
CID 63717442
2-ethoxy-5-(4-propan-2-yl-1,3-thiazol-2-yl)aniline
CID 82152397

Frequently Asked Questions

What is the IUPAC name of [3-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride?
The IUPAC name of [3-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride (CID 120558532) is [3-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [3-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride?
The canonical SMILES for [3-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride is CC(C)c1csc(-c2cccc(CN)c2)n1.Cl.
What is the InChIKey of [3-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride?
The InChIKey is MBQZAMKNBDALLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2S.ClH/c1-9(2)12-8-16-13(15-12)11-5-3-4-10(6-11)7-14;/h3-6,8-9H,7,14H2,1-2H3;1H.
What are the key properties of [3-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride?
[3-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride has a molecular weight of 268.81 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-propan-2-yl-1,3-thiazol-2-yl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 120558532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).