5-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine;hydrochloride

C16H22ClN3S — CID 120905427

IUPAC5-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC(C)c1cccc2c1CCN(Cc1cnc(N)s1)C2.Cl
InChIInChI=1S/C16H21N3S.ClH/c1-11(2)14-5-3-4-12-9-19(7-6-15(12)14)10-13-8-18-16(17)20-13;/h3-5,8,11H,6-7,9-10H2,1-2H3,(H2,17,18);1H
InChIKeyCRABRHRDYSDUGZ-UHFFFAOYSA-N
MW323.89 g/mol
LogP3.83
Rot. Bonds3

About 5-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine;hydrochloride

5-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120905427) has the molecular formula C16H22ClN3S and a molecular weight of 323.89 g/mol. Its IUPAC name is 5-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120905427
Molecular FormulaC16H22ClN3S
Molecular Weight323.89 g/mol
Exact Mass323.12
IUPAC Name5-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCC(C)c1cccc2c1CCN(Cc1cnc(N)s1)C2.Cl
InChIInChI=1S/C16H21N3S.ClH/c1-11(2)14-5-3-4-12-9-19(7-6-15(12)14)10-13-8-18-16(17)20-13;/h3-5,8,11H,6-7,9-10H2,1-2H3,(H2,17,18);1H
InChIKeyCRABRHRDYSDUGZ-UHFFFAOYSA-N
XLogP3.83
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.89
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine;hydrochloride with MolForge

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Related Compounds

5-[(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine
CID 120900283
5-[(6-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903904
4-[4-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]phenyl]morpholine
CID 59734346
5-[(2-amino-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazol-2-amine
CID 24912252
1-phenyl-2-(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanethiol
CID 143140540
5-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 115883982
5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816
5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79015163
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(1-phenylethyl)piperidine-4-carboxamide
CID 175454276
5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 82171608
5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79772023
5-[[4-[2-(2,5-dimethylpyrrolidin-1-yl)ethyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899430

Frequently Asked Questions

What is the IUPAC name of 5-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120905427) is 5-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine;hydrochloride is CC(C)c1cccc2c1CCN(Cc1cnc(N)s1)C2.Cl.
What is the InChIKey of 5-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is CRABRHRDYSDUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S.ClH/c1-11(2)14-5-3-4-12-9-19(7-6-15(12)14)10-13-8-18-16(17)20-13;/h3-5,8,11H,6-7,9-10H2,1-2H3,(H2,17,18);1H.
What are the key properties of 5-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 323.89 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120905427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).