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'}

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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).