(E)-N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5,6-dihydrothiopyrano[3,2-d][1,3]thiazol-7-imine

C16H14N4OS3 — CID 118073291

IUPAC(E)-N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5,6-dihydrothiopyrano[3,2-d][1,3]thiazol-7-imine
SMILESCO/N=C1\CCSc2sc(-c3sc(-c4cccnc4)nc3C)nc21
InChIInChI=1S/C16H14N4OS3/c1-9-13(23-14(18-9)10-4-3-6-17-8-10)15-19-12-11(20-21-2)5-7-22-16(12)24-15/h3-4,6,8H,5,7H2,1-2H3/b20-11+
InChIKeySCYUZAKJSLDVBO-RGVLZGJSSA-N
MW374.52 g/mol
LogP4.48
Rot. Bonds3

About (E)-N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5,6-dihydrothiopyrano[3,2-d][1,3]thiazol-7-imine

(E)-N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5,6-dihydrothiopyrano[3,2-d][1,3]thiazol-7-imine (PubChem CID 118073291) has the molecular formula C16H14N4OS3 and a molecular weight of 374.52 g/mol. Its IUPAC name is (E)-N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5,6-dihydrothiopyrano[3,2-d][1,3]thiazol-7-imine.

Molecular Properties

Compound Name(E)-N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5,6-dihydrothiopyrano[3,2-d][1,3]thiazol-7-imine
PubChem CID118073291
Molecular FormulaC16H14N4OS3
Molecular Weight374.52 g/mol
Exact Mass374.03
IUPAC Name(E)-N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5,6-dihydrothiopyrano[3,2-d][1,3]thiazol-7-imine
SMILESCO/N=C1\CCSc2sc(-c3sc(-c4cccnc4)nc3C)nc21
InChIInChI=1S/C16H14N4OS3/c1-9-13(23-14(18-9)10-4-3-6-17-8-10)15-19-12-11(20-21-2)5-7-22-16(12)24-15/h3-4,6,8H,5,7H2,1-2H3/b20-11+
InChIKeySCYUZAKJSLDVBO-RGVLZGJSSA-N
XLogP4.48
TPSA60.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.52
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5,6-dihydrothiopyrano[3,2-d][1,3]thiazol-7-imine with MolForge

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

Launch Full Analysis

Related Compounds

N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine
CID 123211049
(E)-N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-1,3-benzoxazol-4-imine
CID 118081776
N-ethoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-1,3-benzothiazol-4-imine
CID 123375991
(E)-N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrano[2,3-b]pyrazin-8-imine
CID 118081634
(E)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-(3,3,3-trifluoropropoxy)-6,7-dihydro-5H-quinolin-8-imine
CID 118081574
(E)-5-methyl-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-propoxy-6,7-dihydropyrido[2,3-b]pyrazin-8-imine
CID 118081640
N-(2,2-difluoropropoxy)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine
CID 123360423
3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-propoxy-7,8-dihydro-6H-1,2,4-benzotriazin-5-imine
CID 123989234
(E)-N-(2,2-difluoropropoxy)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine
CID 118081603
(E)-N-(3-methylpentan-2-yloxy)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-imine
CID 118081599
methyl N-[[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydro-5H-quinolin-8-ylidene]amino]carbamate
CID 123621011
(E)-N-ethoxy-8-methyl-3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-6,7-dihydropyrido[3,2-e][1,2,4]triazin-5-imine
CID 118081741

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5,6-dihydrothiopyrano[3,2-d][1,3]thiazol-7-imine?
The IUPAC name of (E)-N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5,6-dihydrothiopyrano[3,2-d][1,3]thiazol-7-imine (CID 118073291) is (E)-N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5,6-dihydrothiopyrano[3,2-d][1,3]thiazol-7-imine.
What is the SMILES notation for (E)-N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5,6-dihydrothiopyrano[3,2-d][1,3]thiazol-7-imine?
The canonical SMILES for (E)-N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5,6-dihydrothiopyrano[3,2-d][1,3]thiazol-7-imine is CO/N=C1\CCSc2sc(-c3sc(-c4cccnc4)nc3C)nc21.
What is the InChIKey of (E)-N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5,6-dihydrothiopyrano[3,2-d][1,3]thiazol-7-imine?
The InChIKey is SCYUZAKJSLDVBO-RGVLZGJSSA-N. The full InChI is InChI=1S/C16H14N4OS3/c1-9-13(23-14(18-9)10-4-3-6-17-8-10)15-19-12-11(20-21-2)5-7-22-16(12)24-15/h3-4,6,8H,5,7H2,1-2H3/b20-11+.
What are the key properties of (E)-N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5,6-dihydrothiopyrano[3,2-d][1,3]thiazol-7-imine?
(E)-N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5,6-dihydrothiopyrano[3,2-d][1,3]thiazol-7-imine has a molecular weight of 374.52 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-5,6-dihydrothiopyrano[3,2-d][1,3]thiazol-7-imine is sourced from PubChem (CID 118073291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).