3-(furan-2-ylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazol-2-imine

C14H13N3OS — CID 3673827

IUPAC3-(furan-2-ylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\c2cccnc2)n1Cc1ccco1
InChIInChI=1S/C14H13N3OS/c1-11-10-19-14(16-12-4-2-6-15-8-12)17(11)9-13-5-3-7-18-13/h2-8,10H,9H2,1H3/b16-14-
InChIKeyLVMBWGBEOBQLQD-PEZBUJJGSA-N
MW271.35 g/mol
LogP3.13
Rot. Bonds3

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

3-(furan-2-ylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazol-2-imine (PubChem CID 3673827) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazol-2-imine
PubChem CID3673827
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name3-(furan-2-ylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazol-2-imine
SMILESCc1cs/c(=N\c2cccnc2)n1Cc1ccco1
InChIInChI=1S/C14H13N3OS/c1-11-10-19-14(16-12-4-2-6-15-8-12)17(11)9-13-5-3-7-18-13/h2-8,10H,9H2,1H3/b16-14-
InChIKeyLVMBWGBEOBQLQD-PEZBUJJGSA-N
XLogP3.13
TPSA43.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazol-2-imine?
The IUPAC name of 3-(furan-2-ylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazol-2-imine (CID 3673827) is 3-(furan-2-ylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-(furan-2-ylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazol-2-imine?
The canonical SMILES for 3-(furan-2-ylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazol-2-imine is Cc1cs/c(=N\c2cccnc2)n1Cc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazol-2-imine?
The InChIKey is LVMBWGBEOBQLQD-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-11-10-19-14(16-12-4-2-6-15-8-12)17(11)9-13-5-3-7-18-13/h2-8,10H,9H2,1H3/b16-14-.
What are the key properties of 3-(furan-2-ylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazol-2-imine?
3-(furan-2-ylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazol-2-imine has a molecular weight of 271.35 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-4-methyl-N-pyridin-3-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 3673827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).