2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride

C14H19ClN2OS — CID 120558486

IUPAC2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride
SMILESCNCCc1nc(-c2cc(C)ccc2OC)cs1.Cl
InChIInChI=1S/C14H18N2OS.ClH/c1-10-4-5-13(17-3)11(8-10)12-9-18-14(16-12)6-7-15-2;/h4-5,8-9,15H,6-7H2,1-3H3;1H
InChIKeyQVWHODVHRNJQJQ-UHFFFAOYSA-N
MW298.84 g/mol
LogP3.31
Rot. Bonds5

About 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride

2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride (PubChem CID 120558486) has the molecular formula C14H19ClN2OS and a molecular weight of 298.84 g/mol. Its IUPAC name is 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride.

Molecular Properties

Compound Name2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride
PubChem CID120558486
Molecular FormulaC14H19ClN2OS
Molecular Weight298.84 g/mol
Exact Mass298.09
IUPAC Name2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride
SMILESCNCCc1nc(-c2cc(C)ccc2OC)cs1.Cl
InChIInChI=1S/C14H18N2OS.ClH/c1-10-4-5-13(17-3)11(8-10)12-9-18-14(16-12)6-7-15-2;/h4-5,8-9,15H,6-7H2,1-3H3;1H
InChIKeyQVWHODVHRNJQJQ-UHFFFAOYSA-N
XLogP3.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.84
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 28942199
2-[4-(3-ethyl-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3893486
ethyl 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]acetate
CID 28942120
2-[4-(3-tert-butyl-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4030252
2-[4-(4,5-dimethyl-2-phenylmethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4536558
1-[2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidin-2-one
CID 51100877
1-[4-(2-methoxy-5-propylphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4009901
2-[4-(5-chloro-2-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3346581
1-[[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]methyl]-4-methylpyridin-2-one
CID 84566125
2-[4-(2-ethoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 3312423
2-[4-(2,4-diethoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 4011039
2-[4-(2,5-dimethyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 82496673

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride?
The IUPAC name of 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride (CID 120558486) is 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride.
What is the SMILES notation for 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride?
The canonical SMILES for 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride is CNCCc1nc(-c2cc(C)ccc2OC)cs1.Cl.
What is the InChIKey of 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride?
The InChIKey is QVWHODVHRNJQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS.ClH/c1-10-4-5-13(17-3)11(8-10)12-9-18-14(16-12)6-7-15-2;/h4-5,8-9,15H,6-7H2,1-3H3;1H.
What are the key properties of 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride?
2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride has a molecular weight of 298.84 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride is sourced from PubChem (CID 120558486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).