2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-dihydroisoindol-5-amine

C13H15N3S — CID 54962658

IUPAC2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-dihydroisoindol-5-amine
SMILESCc1ncc(CN2Cc3ccc(N)cc3C2)s1
InChIInChI=1S/C13H15N3S/c1-9-15-5-13(17-9)8-16-6-10-2-3-12(14)4-11(10)7-16/h2-5H,6-8,14H2,1H3
InChIKeyWSPHCLAFFLOODO-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.55
Rot. Bonds2

About 2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-dihydroisoindol-5-amine

2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-dihydroisoindol-5-amine (PubChem CID 54962658) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-dihydroisoindol-5-amine.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-dihydroisoindol-5-amine
PubChem CID54962658
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-dihydroisoindol-5-amine
SMILESCc1ncc(CN2Cc3ccc(N)cc3C2)s1
InChIInChI=1S/C13H15N3S/c1-9-15-5-13(17-9)8-16-6-10-2-3-12(14)4-11(10)7-16/h2-5H,6-8,14H2,1H3
InChIKeyWSPHCLAFFLOODO-UHFFFAOYSA-N
XLogP2.55
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-dihydroisoindol-5-amine 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

2-[(5-methylpyrazin-2-yl)methyl]-1,3-dihydroisoindol-5-amine
CID 62847762
5-[[3,5-bis[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazinan-1-yl]methyl]-2-methyl-1,3-thiazole
CID 59815005
2-[(2-methylphenyl)methyl]-1,3-dihydroisoindol-5-amine
CID 43175797
2-[(6-methyl-2-pyridinyl)methyl]-1,3-dihydroisoindol-5-amine
CID 62307386
5-[[3,5-bis[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazinan-1-yl]methyl]-2-methyl-1,3-thiazole;5-ethyl-2-methyl-1,3-thiazole;(2-methyl-1,3-thiazol-5-yl)methanamine
CID 159401525
5-amino-1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyridin-2-one
CID 165472234
1-[(2-methyl-1,3-thiazol-5-yl)methyl]indazol-5-amine
CID 68619298
2-(1,3-thiazol-5-ylmethyl)-3,4-dihydro-1H-isoquinolin-7-amine
CID 112640977
(3-aminophenyl)-[4-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl]methanone;trihydrochloride
CID 119903039
(3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
CID 94247072
2-[(2-methoxyphenyl)methyl]-1,3-dihydroisoindol-5-amine
CID 43370115
2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindol-5-amine
CID 125482074

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-dihydroisoindol-5-amine?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-dihydroisoindol-5-amine (CID 54962658) is 2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-dihydroisoindol-5-amine.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-dihydroisoindol-5-amine?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-dihydroisoindol-5-amine is Cc1ncc(CN2Cc3ccc(N)cc3C2)s1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-dihydroisoindol-5-amine?
The InChIKey is WSPHCLAFFLOODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-9-15-5-13(17-9)8-16-6-10-2-3-12(14)4-11(10)7-16/h2-5H,6-8,14H2,1H3.
What are the key properties of 2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-dihydroisoindol-5-amine?
2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-dihydroisoindol-5-amine has a molecular weight of 245.35 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-dihydroisoindol-5-amine is sourced from PubChem (CID 54962658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).