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

C16H17N3OS — CID 75501081

IUPACN-(furan-2-ylmethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
SMILESCc1nc(CN(Cc2cccnc2)Cc2ccco2)cs1
InChIInChI=1S/C16H17N3OS/c1-13-18-15(12-21-13)10-19(11-16-5-3-7-20-16)9-14-4-2-6-17-8-14/h2-8,12H,9-11H2,1H3
InChIKeyWURDRALUWAJQSY-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.64
Rot. Bonds6

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

N-(furan-2-ylmethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-3-ylmethanamine (PubChem CID 75501081) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
PubChem CID75501081
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-(furan-2-ylmethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
SMILESCc1nc(CN(Cc2cccnc2)Cc2ccco2)cs1
InChIInChI=1S/C16H17N3OS/c1-13-18-15(12-21-13)10-19(11-16-5-3-7-20-16)9-14-4-2-6-17-8-14/h2-8,12H,9-11H2,1H3
InChIKeyWURDRALUWAJQSY-UHFFFAOYSA-N
XLogP3.64
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(furan-2-ylmethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-3-ylmethanamine 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-(furan-2-ylmethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-(furan-2-ylmethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-3-ylmethanamine (CID 75501081) is N-(furan-2-ylmethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-3-ylmethanamine is Cc1nc(CN(Cc2cccnc2)Cc2ccco2)cs1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is WURDRALUWAJQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c1-13-18-15(12-21-13)10-19(11-16-5-3-7-20-16)9-14-4-2-6-17-8-14/h2-8,12H,9-11H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-3-ylmethanamine?
N-(furan-2-ylmethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 299.40 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 75501081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).