N-ethyl-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine

C15H15N3S3 — CID 23792028

IUPACN-ethyl-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2cccs2)n1N=Cc1ccc(C)s1
InChIInChI=1S/C15H15N3S3/c1-3-16-15-18(17-9-12-7-6-11(2)21-12)13(10-20-15)14-5-4-8-19-14/h4-10H,3H2,1-2H3/b16-15-,17-9?
InChIKeyMEZZECIVENGLIO-JWTJGMJASA-N
MW333.51 g/mol
LogP4.45
Rot. Bonds4

About N-ethyl-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine

N-ethyl-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine (PubChem CID 23792028) has the molecular formula C15H15N3S3 and a molecular weight of 333.51 g/mol. Its IUPAC name is N-ethyl-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-ethyl-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
PubChem CID23792028
Molecular FormulaC15H15N3S3
Molecular Weight333.51 g/mol
Exact Mass333.04
IUPAC NameN-ethyl-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESCC/N=c1\scc(-c2cccs2)n1N=Cc1ccc(C)s1
InChIInChI=1S/C15H15N3S3/c1-3-16-15-18(17-9-12-7-6-11(2)21-12)13(10-20-15)14-5-4-8-19-14/h4-10H,3H2,1-2H3/b16-15-,17-9?
InChIKeyMEZZECIVENGLIO-JWTJGMJASA-N
XLogP4.45
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.51
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxyphenyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23857374
N-ethyl-3-(1H-indol-3-ylmethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 2457721
3-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methylideneamino]-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23797224
3-(butan-2-ylideneamino)-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 3672467
(Z)-3-[(Z)-benzylideneamino]-N-ethyl-4-phenyl-1,3-thiazol-2-imine
CID 7959634
4-(4-fluorophenyl)-N-(2-methylprop-2-enyl)-3-[(5-methylthiophen-2-yl)methylideneamino]-1,3-thiazol-2-imine
CID 23855973
3-[(2-chlorophenyl)methylideneamino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23934393
3-[(4-methylphenyl)methylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23884154
(Z)-N-ethyl-3-[(Z)-(2-fluorophenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-imine
CID 7959639
4-(furan-2-yl)-3-[(5-methylthiophen-2-yl)methylideneamino]-N-propan-2-yl-1,3-thiazol-2-imine
CID 23992310
(Z)-N-(2-methoxyethyl)-3-[(Z)-pyridin-2-ylmethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 9368245
3-(3-methylbutylideneamino)-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23910433

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine?
The IUPAC name of N-ethyl-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine (CID 23792028) is N-ethyl-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for N-ethyl-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for N-ethyl-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine is CC/N=c1\scc(-c2cccs2)n1N=Cc1ccc(C)s1.
What is the InChIKey of N-ethyl-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine?
The InChIKey is MEZZECIVENGLIO-JWTJGMJASA-N. The full InChI is InChI=1S/C15H15N3S3/c1-3-16-15-18(17-9-12-7-6-11(2)21-12)13(10-20-15)14-5-4-8-19-14/h4-10H,3H2,1-2H3/b16-15-,17-9?.
What are the key properties of N-ethyl-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine?
N-ethyl-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine has a molecular weight of 333.51 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23792028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).