5-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride

C13H16ClN3S — CID 120902127

IUPAC5-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCc1ccc2c(c1)CCN2Cc1cnc(N)s1.Cl
InChIInChI=1S/C13H15N3S.ClH/c1-9-2-3-12-10(6-9)4-5-16(12)8-11-7-15-13(14)17-11;/h2-3,6-7H,4-5,8H2,1H3,(H2,14,15);1H
InChIKeyGQYZCXCZHWBLBC-UHFFFAOYSA-N
MW281.81 g/mol
LogP3.02
Rot. Bonds2

About 5-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride

5-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120902127) has the molecular formula C13H16ClN3S and a molecular weight of 281.81 g/mol. Its IUPAC name is 5-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120902127
Molecular FormulaC13H16ClN3S
Molecular Weight281.81 g/mol
Exact Mass281.08
IUPAC Name5-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCc1ccc2c(c1)CCN2Cc1cnc(N)s1.Cl
InChIInChI=1S/C13H15N3S.ClH/c1-9-2-3-12-10(6-9)4-5-16(12)8-11-7-15-13(14)17-11;/h2-3,6-7H,4-5,8H2,1H3,(H2,14,15);1H
InChIKeyGQYZCXCZHWBLBC-UHFFFAOYSA-N
XLogP3.02
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.81
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2,6-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]-1,3-thiazol-2-amine
CID 120903458
[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62755045
5-[[3-(2,4-dimethylphenyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120905616
1-[(2-chloro-4-methylphenyl)methyl]-2,3-dihydroindol-5-amine
CID 106864189
5-[(6-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903904
5-[(3-propan-2-yl-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903880
5-(spiro[2H-indole-3,1'-cyclopropane]-1-ylmethyl)-1,3-thiazol-2-amine;hydrochloride
CID 120902174
3-[(6-methyl-2,3-dihydroindol-1-yl)methyl]pyrazin-2-amine
CID 165142452
1-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-2,3-dihydroindol-5-amine
CID 66362726
3-chloro-4-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline
CID 63405916
3-fluoro-5-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]aniline
CID 115980030
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 120898685

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120902127) is 5-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride is Cc1ccc2c(c1)CCN2Cc1cnc(N)s1.Cl.
What is the InChIKey of 5-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is GQYZCXCZHWBLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S.ClH/c1-9-2-3-12-10(6-9)4-5-16(12)8-11-7-15-13(14)17-11;/h2-3,6-7H,4-5,8H2,1H3,(H2,14,15);1H.
What are the key properties of 5-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 281.81 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methyl-2,3-dihydroindol-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120902127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).