1-(2,3-dihydro-1H-indol-7-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine

C13H15N3S — CID 80649847

IUPAC1-(2,3-dihydro-1H-indol-7-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESc1cc2c(c(CNCc3cscn3)c1)NCC2
InChIInChI=1S/C13H15N3S/c1-2-10-4-5-15-13(10)11(3-1)6-14-7-12-8-17-9-16-12/h1-3,8-9,14-15H,4-7H2
InChIKeyIWPRFSQLSIKXNP-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.40
Rot. Bonds4

About 1-(2,3-dihydro-1H-indol-7-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine

1-(2,3-dihydro-1H-indol-7-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine (PubChem CID 80649847) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-7-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-7-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
PubChem CID80649847
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name1-(2,3-dihydro-1H-indol-7-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine
SMILESc1cc2c(c(CNCc3cscn3)c1)NCC2
InChIInChI=1S/C13H15N3S/c1-2-10-4-5-15-13(10)11(3-1)6-14-7-12-8-17-9-16-12/h1-3,8-9,14-15H,4-7H2
InChIKeyIWPRFSQLSIKXNP-UHFFFAOYSA-N
XLogP2.40
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-7-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine?
The IUPAC name of 1-(2,3-dihydro-1H-indol-7-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine (CID 80649847) is 1-(2,3-dihydro-1H-indol-7-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-7-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-7-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine is c1cc2c(c(CNCc3cscn3)c1)NCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-7-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine?
The InChIKey is IWPRFSQLSIKXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-2-10-4-5-15-13(10)11(3-1)6-14-7-12-8-17-9-16-12/h1-3,8-9,14-15H,4-7H2.
What are the key properties of 1-(2,3-dihydro-1H-indol-7-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine?
1-(2,3-dihydro-1H-indol-7-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine has a molecular weight of 245.35 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-7-yl)-N-(1,3-thiazol-4-ylmethyl)methanamine is sourced from PubChem (CID 80649847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).