N-[[(Z)-2-[2-[6-(cyclopropylmethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]-2-(methylideneamino)ethenyl]sulfanylmethyl]methanimine

C17H18N4OS2 — CID 145104125

IUPACN-[[(Z)-2-[2-[6-(cyclopropylmethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]-2-(methylideneamino)ethenyl]sulfanylmethyl]methanimine
SMILESC=NCS/C=C(\N=C)c1csc(-c2ccc(OCC3CC3)nc2)n1
InChIInChI=1S/C17H18N4OS2/c1-18-11-23-9-14(19-2)15-10-24-17(21-15)13-5-6-16(20-7-13)22-8-12-3-4-12/h5-7,9-10,12H,1-4,8,11H2/b14-9-
InChIKeyMUZFSWPIALHMFC-ZROIWOOFSA-N
MW358.49 g/mol
LogP4.38
Rot. Bonds9

About N-[[(Z)-2-[2-[6-(cyclopropylmethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]-2-(methylideneamino)ethenyl]sulfanylmethyl]methanimine

N-[[(Z)-2-[2-[6-(cyclopropylmethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]-2-(methylideneamino)ethenyl]sulfanylmethyl]methanimine (PubChem CID 145104125) has the molecular formula C17H18N4OS2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[[(Z)-2-[2-[6-(cyclopropylmethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]-2-(methylideneamino)ethenyl]sulfanylmethyl]methanimine.

Molecular Properties

Compound NameN-[[(Z)-2-[2-[6-(cyclopropylmethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]-2-(methylideneamino)ethenyl]sulfanylmethyl]methanimine
PubChem CID145104125
Molecular FormulaC17H18N4OS2
Molecular Weight358.49 g/mol
Exact Mass358.09
IUPAC NameN-[[(Z)-2-[2-[6-(cyclopropylmethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]-2-(methylideneamino)ethenyl]sulfanylmethyl]methanimine
SMILESC=NCS/C=C(\N=C)c1csc(-c2ccc(OCC3CC3)nc2)n1
InChIInChI=1S/C17H18N4OS2/c1-18-11-23-9-14(19-2)15-10-24-17(21-15)13-5-6-16(20-7-13)22-8-12-3-4-12/h5-7,9-10,12H,1-4,8,11H2/b14-9-
InChIKeyMUZFSWPIALHMFC-ZROIWOOFSA-N
XLogP4.38
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[[(Z)-2-[2-[6-(cyclopropylmethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]-2-(methylideneamino)ethenyl]sulfanylmethyl]methanimine 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-[[(Z)-2-[2-[6-(cyclopropylmethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]-2-(methylideneamino)ethenyl]sulfanylmethyl]methanimine?
The IUPAC name of N-[[(Z)-2-[2-[6-(cyclopropylmethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]-2-(methylideneamino)ethenyl]sulfanylmethyl]methanimine (CID 145104125) is N-[[(Z)-2-[2-[6-(cyclopropylmethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]-2-(methylideneamino)ethenyl]sulfanylmethyl]methanimine.
What is the SMILES notation for N-[[(Z)-2-[2-[6-(cyclopropylmethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]-2-(methylideneamino)ethenyl]sulfanylmethyl]methanimine?
The canonical SMILES for N-[[(Z)-2-[2-[6-(cyclopropylmethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]-2-(methylideneamino)ethenyl]sulfanylmethyl]methanimine is C=NCS/C=C(\N=C)c1csc(-c2ccc(OCC3CC3)nc2)n1.
What is the InChIKey of N-[[(Z)-2-[2-[6-(cyclopropylmethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]-2-(methylideneamino)ethenyl]sulfanylmethyl]methanimine?
The InChIKey is MUZFSWPIALHMFC-ZROIWOOFSA-N. The full InChI is InChI=1S/C17H18N4OS2/c1-18-11-23-9-14(19-2)15-10-24-17(21-15)13-5-6-16(20-7-13)22-8-12-3-4-12/h5-7,9-10,12H,1-4,8,11H2/b14-9-.
What are the key properties of N-[[(Z)-2-[2-[6-(cyclopropylmethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]-2-(methylideneamino)ethenyl]sulfanylmethyl]methanimine?
N-[[(Z)-2-[2-[6-(cyclopropylmethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]-2-(methylideneamino)ethenyl]sulfanylmethyl]methanimine has a molecular weight of 358.49 g/mol, XLogP of 4.38, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(Z)-2-[2-[6-(cyclopropylmethoxy)-3-pyridinyl]-1,3-thiazol-4-yl]-2-(methylideneamino)ethenyl]sulfanylmethyl]methanimine is sourced from PubChem (CID 145104125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).