N-[[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine

C16H21N3S — CID 62096144

IUPACN-[[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1csc(-c2ccc3c(c2)CCN3C)n1
InChIInChI=1S/C16H21N3S/c1-11(2)17-9-14-10-20-16(18-14)13-4-5-15-12(8-13)6-7-19(15)3/h4-5,8,10-11,17H,6-7,9H2,1-3H3
InChIKeyOBPAUKMSNZSRNO-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.30
Rot. Bonds4

About N-[[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine

N-[[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine (PubChem CID 62096144) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-[[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
PubChem CID62096144
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC NameN-[[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1csc(-c2ccc3c(c2)CCN3C)n1
InChIInChI=1S/C16H21N3S/c1-11(2)17-9-14-10-20-16(18-14)13-4-5-15-12(8-13)6-7-19(15)3/h4-5,8,10-11,17H,6-7,9H2,1-3H3
InChIKeyOBPAUKMSNZSRNO-UHFFFAOYSA-N
XLogP3.30
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine (CID 62096144) is N-[[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine is CC(C)NCc1csc(-c2ccc3c(c2)CCN3C)n1.
What is the InChIKey of N-[[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
The InChIKey is OBPAUKMSNZSRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-11(2)17-9-14-10-20-16(18-14)13-4-5-15-12(8-13)6-7-19(15)3/h4-5,8,10-11,17H,6-7,9H2,1-3H3.
What are the key properties of N-[[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine?
N-[[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine has a molecular weight of 287.43 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methyl-2,3-dihydroindol-5-yl)-1,3-thiazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62096144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).