N-[[1-(1,3-thiazol-5-ylmethyl)indol-5-yl]methyl]cyclopropanamine

C16H17N3S — CID 115979513

IUPACN-[[1-(1,3-thiazol-5-ylmethyl)indol-5-yl]methyl]cyclopropanamine
SMILESc1ncc(Cn2ccc3cc(CNC4CC4)ccc32)s1
InChIInChI=1S/C16H17N3S/c1-4-16-13(7-12(1)8-18-14-2-3-14)5-6-19(16)10-15-9-17-11-20-15/h1,4-7,9,11,14,18H,2-3,8,10H2
InChIKeyZJBODNAMCGOONP-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.40
Rot. Bonds5

About N-[[1-(1,3-thiazol-5-ylmethyl)indol-5-yl]methyl]cyclopropanamine

N-[[1-(1,3-thiazol-5-ylmethyl)indol-5-yl]methyl]cyclopropanamine (PubChem CID 115979513) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-[[1-(1,3-thiazol-5-ylmethyl)indol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(1,3-thiazol-5-ylmethyl)indol-5-yl]methyl]cyclopropanamine
PubChem CID115979513
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC NameN-[[1-(1,3-thiazol-5-ylmethyl)indol-5-yl]methyl]cyclopropanamine
SMILESc1ncc(Cn2ccc3cc(CNC4CC4)ccc32)s1
InChIInChI=1S/C16H17N3S/c1-4-16-13(7-12(1)8-18-14-2-3-14)5-6-19(16)10-15-9-17-11-20-15/h1,4-7,9,11,14,18H,2-3,8,10H2
InChIKeyZJBODNAMCGOONP-UHFFFAOYSA-N
XLogP3.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-(1,3-thiazol-5-ylmethyl)indol-5-yl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,3-thiazol-5-ylmethyl)indol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(1,3-thiazol-5-ylmethyl)indol-5-yl]methyl]cyclopropanamine (CID 115979513) is N-[[1-(1,3-thiazol-5-ylmethyl)indol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(1,3-thiazol-5-ylmethyl)indol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(1,3-thiazol-5-ylmethyl)indol-5-yl]methyl]cyclopropanamine is c1ncc(Cn2ccc3cc(CNC4CC4)ccc32)s1.
What is the InChIKey of N-[[1-(1,3-thiazol-5-ylmethyl)indol-5-yl]methyl]cyclopropanamine?
The InChIKey is ZJBODNAMCGOONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-4-16-13(7-12(1)8-18-14-2-3-14)5-6-19(16)10-15-9-17-11-20-15/h1,4-7,9,11,14,18H,2-3,8,10H2.
What are the key properties of N-[[1-(1,3-thiazol-5-ylmethyl)indol-5-yl]methyl]cyclopropanamine?
N-[[1-(1,3-thiazol-5-ylmethyl)indol-5-yl]methyl]cyclopropanamine has a molecular weight of 283.40 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,3-thiazol-5-ylmethyl)indol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 115979513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).