N-cyclopentyl-2-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1H-indol-7-amine

C17H21N3S — CID 91480846

IUPACN-cyclopentyl-2-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1H-indol-7-amine
SMILESCc1cc(NC2CCCC2)c2[nH]c(C3=NCCS3)cc2c1
InChIInChI=1S/C17H21N3S/c1-11-8-12-10-15(17-18-6-7-21-17)20-16(12)14(9-11)19-13-4-2-3-5-13/h8-10,13,19-20H,2-7H2,1H3
InChIKeyRBNKZPMEAAHBOZ-UHFFFAOYSA-N
MW299.44 g/mol
LogP4.32
Rot. Bonds3

About N-cyclopentyl-2-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1H-indol-7-amine

N-cyclopentyl-2-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1H-indol-7-amine (PubChem CID 91480846) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-cyclopentyl-2-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1H-indol-7-amine.

Molecular Properties

Compound NameN-cyclopentyl-2-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1H-indol-7-amine
PubChem CID91480846
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC NameN-cyclopentyl-2-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1H-indol-7-amine
SMILESCc1cc(NC2CCCC2)c2[nH]c(C3=NCCS3)cc2c1
InChIInChI=1S/C17H21N3S/c1-11-8-12-10-15(17-18-6-7-21-17)20-16(12)14(9-11)19-13-4-2-3-5-13/h8-10,13,19-20H,2-7H2,1H3
InChIKeyRBNKZPMEAAHBOZ-UHFFFAOYSA-N
XLogP4.32
TPSA40.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1H-indol-7-amine?
The IUPAC name of N-cyclopentyl-2-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1H-indol-7-amine (CID 91480846) is N-cyclopentyl-2-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1H-indol-7-amine.
What is the SMILES notation for N-cyclopentyl-2-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1H-indol-7-amine?
The canonical SMILES for N-cyclopentyl-2-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1H-indol-7-amine is Cc1cc(NC2CCCC2)c2[nH]c(C3=NCCS3)cc2c1.
What is the InChIKey of N-cyclopentyl-2-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1H-indol-7-amine?
The InChIKey is RBNKZPMEAAHBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-11-8-12-10-15(17-18-6-7-21-17)20-16(12)14(9-11)19-13-4-2-3-5-13/h8-10,13,19-20H,2-7H2,1H3.
What are the key properties of N-cyclopentyl-2-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1H-indol-7-amine?
N-cyclopentyl-2-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1H-indol-7-amine has a molecular weight of 299.44 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(4,5-dihydro-1,3-thiazol-2-yl)-5-methyl-1H-indol-7-amine is sourced from PubChem (CID 91480846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).