N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylethanamine

C16H17N3OS — CID 126768185

IUPACN-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylethanamine
SMILESCC(c1ccncc1)N(C)Cc1csc(-c2ccoc2)n1
InChIInChI=1S/C16H17N3OS/c1-12(13-3-6-17-7-4-13)19(2)9-15-11-21-16(18-15)14-5-8-20-10-14/h3-8,10-12H,9H2,1-2H3
InChIKeySAOGNLCLNXWBDB-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.99
Rot. Bonds5

About N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylethanamine

N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylethanamine (PubChem CID 126768185) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylethanamine
PubChem CID126768185
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylethanamine
SMILESCC(c1ccncc1)N(C)Cc1csc(-c2ccoc2)n1
InChIInChI=1S/C16H17N3OS/c1-12(13-3-6-17-7-4-13)19(2)9-15-11-21-16(18-15)14-5-8-20-10-14/h3-8,10-12H,9H2,1-2H3
InChIKeySAOGNLCLNXWBDB-UHFFFAOYSA-N
XLogP3.99
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylethanamine 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-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylethanamine?
The IUPAC name of N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylethanamine (CID 126768185) is N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylethanamine.
What is the SMILES notation for N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylethanamine?
The canonical SMILES for N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylethanamine is CC(c1ccncc1)N(C)Cc1csc(-c2ccoc2)n1.
What is the InChIKey of N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylethanamine?
The InChIKey is SAOGNLCLNXWBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-12(13-3-6-17-7-4-13)19(2)9-15-11-21-16(18-15)14-5-8-20-10-14/h3-8,10-12H,9H2,1-2H3.
What are the key properties of N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylethanamine?
N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylethanamine has a molecular weight of 299.40 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methyl]-N-methyl-1-pyridin-4-ylethanamine is sourced from PubChem (CID 126768185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).