1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine;hydrochloride

C12H15ClN2OS — CID 47013530

IUPAC1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine;hydrochloride
SMILESCOc1ccc(CNCc2cscn2)cc1.Cl
InChIInChI=1S/C12H14N2OS.ClH/c1-15-12-4-2-10(3-5-12)6-13-7-11-8-16-9-14-11;/h2-5,8-9,13H,6-7H2,1H3;1H
InChIKeyKMSNFVFARBINHF-UHFFFAOYSA-N
MW270.79 g/mol
LogP2.86
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine;hydrochloride

1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine;hydrochloride (PubChem CID 47013530) has the molecular formula C12H15ClN2OS and a molecular weight of 270.79 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine;hydrochloride.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine;hydrochloride
PubChem CID47013530
Molecular FormulaC12H15ClN2OS
Molecular Weight270.79 g/mol
Exact Mass270.06
IUPAC Name1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine;hydrochloride
SMILESCOc1ccc(CNCc2cscn2)cc1.Cl
InChIInChI=1S/C12H14N2OS.ClH/c1-15-12-4-2-10(3-5-12)6-13-7-11-8-16-9-14-11;/h2-5,8-9,13H,6-7H2,1H3;1H
InChIKeyKMSNFVFARBINHF-UHFFFAOYSA-N
XLogP2.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.79
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-thiazol-4-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 60721281
1-[4-(3-methylbutoxy)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 62196983
4-methoxy-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60685427
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine;dihydrochloride
CID 67859421
1-(3-fluoro-4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 61221723
N-ethyl-N-[[4-[(1,3-thiazol-4-ylmethylamino)methyl]phenyl]methyl]ethanamine
CID 60697172
1-[4-(difluoromethyl)phenyl]-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 115523996
4-[(1,3-thiazol-4-ylmethylamino)methyl]benzonitrile
CID 61170634
1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)ethanamine
CID 62049717
N-(1,3-thiazol-4-ylmethyl)ethanamine;dihydrochloride
CID 75485215
1-(4-methoxyphenyl)-N-(pyrazin-2-ylmethyl)methanamine
CID 62761074
1-(4-fluoro-3-methylphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine
CID 60721482

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine;hydrochloride?
The IUPAC name of 1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine;hydrochloride (CID 47013530) is 1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine;hydrochloride.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine;hydrochloride?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine;hydrochloride is COc1ccc(CNCc2cscn2)cc1.Cl.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine;hydrochloride?
The InChIKey is KMSNFVFARBINHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS.ClH/c1-15-12-4-2-10(3-5-12)6-13-7-11-8-16-9-14-11;/h2-5,8-9,13H,6-7H2,1H3;1H.
What are the key properties of 1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine;hydrochloride?
1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine;hydrochloride has a molecular weight of 270.79 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)methanamine;hydrochloride is sourced from PubChem (CID 47013530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).