(E)-3-(furan-2-ylmethyl)-4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-imine

C15H15N3OS2 — CID 6347384

IUPAC(E)-3-(furan-2-ylmethyl)-4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-imine
SMILESC/C(=N/N=c1/scc(C)n1Cc1ccco1)c1cccs1
InChIInChI=1S/C15H15N3OS2/c1-11-10-21-15(18(11)9-13-5-3-7-19-13)17-16-12(2)14-6-4-8-20-14/h3-8,10H,9H2,1-2H3/b16-12-,17-15+
InChIKeyQKSPTINMCSTDSZ-CMUNOCGMSA-N
MW317.44 g/mol
LogP3.89
Rot. Bonds4

About (E)-3-(furan-2-ylmethyl)-4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-imine

(E)-3-(furan-2-ylmethyl)-4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-imine (PubChem CID 6347384) has the molecular formula C15H15N3OS2 and a molecular weight of 317.44 g/mol. Its IUPAC name is (E)-3-(furan-2-ylmethyl)-4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-imine.

Molecular Properties

Compound Name(E)-3-(furan-2-ylmethyl)-4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-imine
PubChem CID6347384
Molecular FormulaC15H15N3OS2
Molecular Weight317.44 g/mol
Exact Mass317.07
IUPAC Name(E)-3-(furan-2-ylmethyl)-4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-imine
SMILESC/C(=N/N=c1/scc(C)n1Cc1ccco1)c1cccs1
InChIInChI=1S/C15H15N3OS2/c1-11-10-21-15(18(11)9-13-5-3-7-19-13)17-16-12(2)14-6-4-8-20-14/h3-8,10H,9H2,1-2H3/b16-12-,17-15+
InChIKeyQKSPTINMCSTDSZ-CMUNOCGMSA-N
XLogP3.89
TPSA42.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(furan-2-ylmethyl)-4-methyl-N-(propan-2-ylideneamino)-1,3-thiazol-2-imine
CID 1227187
4-[(Z)-[(Z)-[3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-ylidene]hydrazinylidene]methyl]phenol
CID 136757593
N-(4-chlorophenyl)-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine
CID 23913461
N-(3,4-dichlorophenyl)-3-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-imine
CID 23876718
3-(furan-2-ylmethyl)-N-phenyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23883340
(2-oxo-2-thiophen-2-ylethyl) 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate
CID 8731692
2-(furan-2-yl)-1-thiophen-2-ylethanone
CID 83173067
[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 4785147
N-(4-fluorophenyl)-3-(furan-2-ylmethyl)-4-(4-methylphenyl)-1,3-thiazol-2-imine
CID 23856464
N,N-bis(furan-2-ylmethyl)thiophene-2-carboxamide
CID 52548112
(E)-5-(furan-2-ylmethyl)-3-phenyl-N-[(E)-1-phenylethylideneamino]-1,3,4-thiadiazol-2-imine
CID 177489873
[2-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] (2S)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 2122585

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-ylmethyl)-4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-imine?
The IUPAC name of (E)-3-(furan-2-ylmethyl)-4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-imine (CID 6347384) is (E)-3-(furan-2-ylmethyl)-4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-imine.
What is the SMILES notation for (E)-3-(furan-2-ylmethyl)-4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-imine?
The canonical SMILES for (E)-3-(furan-2-ylmethyl)-4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-imine is C/C(=N/N=c1/scc(C)n1Cc1ccco1)c1cccs1.
What is the InChIKey of (E)-3-(furan-2-ylmethyl)-4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-imine?
The InChIKey is QKSPTINMCSTDSZ-CMUNOCGMSA-N. The full InChI is InChI=1S/C15H15N3OS2/c1-11-10-21-15(18(11)9-13-5-3-7-19-13)17-16-12(2)14-6-4-8-20-14/h3-8,10H,9H2,1-2H3/b16-12-,17-15+.
What are the key properties of (E)-3-(furan-2-ylmethyl)-4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-imine?
(E)-3-(furan-2-ylmethyl)-4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-imine has a molecular weight of 317.44 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-ylmethyl)-4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]-1,3-thiazol-2-imine is sourced from PubChem (CID 6347384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).