(2Z)-N-ethyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine

C12H19NS — CID 170593162

IUPAC(2Z)-N-ethyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
SMILESCC/N=C1\C(C)=CS\C1=C(\C)C(C)C
InChIInChI=1S/C12H19NS/c1-6-13-11-9(4)7-14-12(11)10(5)8(2)3/h7-8H,6H2,1-5H3/b12-10-,13-11+
InChIKeyQPKIQKLPSDKHFW-PJABCKPXSA-N
MW209.36 g/mol
LogP4.03
Rot. Bonds2

About (2Z)-N-ethyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine

(2Z)-N-ethyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine (PubChem CID 170593162) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is (2Z)-N-ethyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine.

Molecular Properties

Compound Name(2Z)-N-ethyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
PubChem CID170593162
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name(2Z)-N-ethyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
SMILESCC/N=C1\C(C)=CS\C1=C(\C)C(C)C
InChIInChI=1S/C12H19NS/c1-6-13-11-9(4)7-14-12(11)10(5)8(2)3/h7-8H,6H2,1-5H3/b12-10-,13-11+
InChIKeyQPKIQKLPSDKHFW-PJABCKPXSA-N
XLogP4.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z)-N-ethyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-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

(2Z)-N,4-dimethyl-2-(2-methylpropylidene)thiophen-3-imine
CID 139473668
(2Z)-4-methyl-2-(3-methylbutan-2-ylidene)-N-[(E)-2-methylbut-1-enyl]thiophen-3-imine
CID 139473671
(2Z)-N-ethyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 153342696
(2Z)-N-ethenyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 153342757
ethane;(2Z)-N-ethyl-5-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 153342777
(2Z)-N-ethyl-5-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 153342778
(3E)-N-ethyl-4-methyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine
CID 168228160
ethane;(3E)-N-ethyl-4-methyl-3-(3-methylbutan-2-ylidene)thiophen-2-imine
CID 168228163
ethane;N-ethyl-4-methyl-2-propan-2-ylidenethiophen-3-imine
CID 168228188
ethane;(2Z)-N-ethyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine
CID 170732082
2-(3-Methyl-6-propyl-2,3-dihydropyridin-4-yl)-4,5-dihydro-1,3-thiazole
CID 142189187
N-ethyl-4-methyl-2-propan-2-ylidenethiophen-3-imine
CID 168228189

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-ethyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine?
The IUPAC name of (2Z)-N-ethyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine (CID 170593162) is (2Z)-N-ethyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine.
What is the SMILES notation for (2Z)-N-ethyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine?
The canonical SMILES for (2Z)-N-ethyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine is CC/N=C1\C(C)=CS\C1=C(\C)C(C)C.
What is the InChIKey of (2Z)-N-ethyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine?
The InChIKey is QPKIQKLPSDKHFW-PJABCKPXSA-N. The full InChI is InChI=1S/C12H19NS/c1-6-13-11-9(4)7-14-12(11)10(5)8(2)3/h7-8H,6H2,1-5H3/b12-10-,13-11+.
What are the key properties of (2Z)-N-ethyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine?
(2Z)-N-ethyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine has a molecular weight of 209.36 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-ethyl-4-methyl-2-(3-methylbutan-2-ylidene)thiophen-3-imine is sourced from PubChem (CID 170593162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).