1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-3-yl]propan-2-amine

C16H19N3S — CID 66404653

IUPAC1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-3-yl]propan-2-amine
SMILESCc1nc(Cn2cc(CC(C)N)c3ccccc32)cs1
InChIInChI=1S/C16H19N3S/c1-11(17)7-13-8-19(9-14-10-20-12(2)18-14)16-6-4-3-5-15(13)16/h3-6,8,10-11H,7,9,17H2,1-2H3
InChIKeyWVXLILBPPWZVNY-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.34
Rot. Bonds4

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

1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-3-yl]propan-2-amine (PubChem CID 66404653) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-3-yl]propan-2-amine
PubChem CID66404653
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-3-yl]propan-2-amine
SMILESCc1nc(Cn2cc(CC(C)N)c3ccccc32)cs1
InChIInChI=1S/C16H19N3S/c1-11(17)7-13-8-19(9-14-10-20-12(2)18-14)16-6-4-3-5-15(13)16/h3-6,8,10-11H,7,9,17H2,1-2H3
InChIKeyWVXLILBPPWZVNY-UHFFFAOYSA-N
XLogP3.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-3-yl]propan-2-amine?
The IUPAC name of 1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-3-yl]propan-2-amine (CID 66404653) is 1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-3-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-3-yl]propan-2-amine?
The canonical SMILES for 1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-3-yl]propan-2-amine is Cc1nc(Cn2cc(CC(C)N)c3ccccc32)cs1.
What is the InChIKey of 1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-3-yl]propan-2-amine?
The InChIKey is WVXLILBPPWZVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-11(17)7-13-8-19(9-14-10-20-12(2)18-14)16-6-4-3-5-15(13)16/h3-6,8,10-11H,7,9,17H2,1-2H3.
What are the key properties of 1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-3-yl]propan-2-amine?
1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-3-yl]propan-2-amine has a molecular weight of 285.42 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-3-yl]propan-2-amine is sourced from PubChem (CID 66404653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).