N-methyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride

C15H21ClN2S — CID 120558492

IUPACN-methyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride
SMILESCCCc1ccc(-c2csc(CCNC)n2)cc1.Cl
InChIInChI=1S/C15H20N2S.ClH/c1-3-4-12-5-7-13(8-6-12)14-11-18-15(17-14)9-10-16-2;/h5-8,11,16H,3-4,9-10H2,1-2H3;1H
InChIKeyRRVRCGGFKXUBNI-UHFFFAOYSA-N
MW296.87 g/mol
LogP3.95
Rot. Bonds6

About N-methyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride

N-methyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride (PubChem CID 120558492) has the molecular formula C15H21ClN2S and a molecular weight of 296.87 g/mol. Its IUPAC name is N-methyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride
PubChem CID120558492
Molecular FormulaC15H21ClN2S
Molecular Weight296.87 g/mol
Exact Mass296.11
IUPAC NameN-methyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride
SMILESCCCc1ccc(-c2csc(CCNC)n2)cc1.Cl
InChIInChI=1S/C15H20N2S.ClH/c1-3-4-12-5-7-13(8-6-12)14-11-18-15(17-14)9-10-16-2;/h5-8,11,16H,3-4,9-10H2,1-2H3;1H
InChIKeyRRVRCGGFKXUBNI-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanol
CID 94267224
N-methyl-2-[4-[4-(2-methylbutan-2-yl)phenyl]-1,3-thiazol-2-yl]ethanamine
CID 4262299
2-(chloromethyl)-4-(4-propylphenyl)-1,3-thiazole
CID 62923597
N-[4-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 82103470
N-methyl-4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butan-1-amine
CID 116968163
N'-[2-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]ethyl]ethane-1,2-diamine
CID 82102821
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine
CID 82103307
2-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 82089636
2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-N-methylethanamine;hydrochloride
CID 120558505
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethyl]propan-1-amine
CID 82103158
N-methyl-2-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
CID 62543899
2-[4-(3-ethyl-4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methylethanamine
CID 3893486

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride?
The IUPAC name of N-methyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride (CID 120558492) is N-methyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride.
What is the SMILES notation for N-methyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride?
The canonical SMILES for N-methyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride is CCCc1ccc(-c2csc(CCNC)n2)cc1.Cl.
What is the InChIKey of N-methyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride?
The InChIKey is RRVRCGGFKXUBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S.ClH/c1-3-4-12-5-7-13(8-6-12)14-11-18-15(17-14)9-10-16-2;/h5-8,11,16H,3-4,9-10H2,1-2H3;1H.
What are the key properties of N-methyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride?
N-methyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride has a molecular weight of 296.87 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(4-propylphenyl)-1,3-thiazol-2-yl]ethanamine;hydrochloride is sourced from PubChem (CID 120558492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).