N,5-dimethyl-3-propan-2-ylidenethiophen-2-imine

C9H13NS — CID 153342683

IUPACN,5-dimethyl-3-propan-2-ylidenethiophen-2-imine
SMILESC/N=C1\SC(C)=CC1=C(C)C
InChIInChI=1S/C9H13NS/c1-6(2)8-5-7(3)11-9(8)10-4/h5H,1-4H3/b10-9-
InChIKeyMRPIGICWOGCBED-KTKRTIGZSA-N
MW167.28 g/mol
LogP3.00
Rot. Bonds

About N,5-dimethyl-3-propan-2-ylidenethiophen-2-imine

N,5-dimethyl-3-propan-2-ylidenethiophen-2-imine (PubChem CID 153342683) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is N,5-dimethyl-3-propan-2-ylidenethiophen-2-imine.

Molecular Properties

Compound NameN,5-dimethyl-3-propan-2-ylidenethiophen-2-imine
PubChem CID153342683
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC NameN,5-dimethyl-3-propan-2-ylidenethiophen-2-imine
SMILESC/N=C1\SC(C)=CC1=C(C)C
InChIInChI=1S/C9H13NS/c1-6(2)8-5-7(3)11-9(8)10-4/h5H,1-4H3/b10-9-
InChIKeyMRPIGICWOGCBED-KTKRTIGZSA-N
XLogP3.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N,5-dimethyl-3-propan-2-ylidenethiophen-2-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

2-phenyl-5-propan-2-yl-4H-1,3-thiazol-4-ide;bis(yttrium)
CID 59400358
2-[(2Z,4Z)-3-methylhepta-2,4,6-trienyl]-4,5-dihydro-1,3-thiazole
CID 88860328
2-Pent-2-en-2-yl-4,5-dihydro-1,3-thiazole
CID 91379774
N-methyl-3-(2-methylidenebutylidene)thiophen-2-imine
CID 123529924
2,4-dimethyl-5-(2-methylbut-2-enylidene)-4H-1,3-thiazole
CID 123540545
N-ethenyl-5-propan-2-yl-3-propan-2-ylidenethiophen-2-imine
CID 129225415
ethane;(3Z)-N-ethenyl-3-ethylidene-5-methylthiophen-2-imine
CID 142981534
(Z)-but-2-ene;ethane;(3Z)-3-ethylidene-N,4,5-trimethylthiophen-2-imine
CID 143718092
(2E)-2-but-3-en-2-ylidene-N,5-dimethylthiophen-3-imine;ethane
CID 143858162
(2E)-2-but-3-en-2-ylidene-N,5-dimethylthiophen-3-imine
CID 143858163
5-methyl-3-methylidene-N-[(Z)-prop-1-enyl]thiophen-2-imine
CID 143900807
(3Z)-5-ethyl-N-methyl-3-propylidenethiophen-2-imine
CID 144699030

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-3-propan-2-ylidenethiophen-2-imine?
The IUPAC name of N,5-dimethyl-3-propan-2-ylidenethiophen-2-imine (CID 153342683) is N,5-dimethyl-3-propan-2-ylidenethiophen-2-imine.
What is the SMILES notation for N,5-dimethyl-3-propan-2-ylidenethiophen-2-imine?
The canonical SMILES for N,5-dimethyl-3-propan-2-ylidenethiophen-2-imine is C/N=C1\SC(C)=CC1=C(C)C.
What is the InChIKey of N,5-dimethyl-3-propan-2-ylidenethiophen-2-imine?
The InChIKey is MRPIGICWOGCBED-KTKRTIGZSA-N. The full InChI is InChI=1S/C9H13NS/c1-6(2)8-5-7(3)11-9(8)10-4/h5H,1-4H3/b10-9-.
What are the key properties of N,5-dimethyl-3-propan-2-ylidenethiophen-2-imine?
N,5-dimethyl-3-propan-2-ylidenethiophen-2-imine has a molecular weight of 167.28 g/mol, XLogP of 3.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-3-propan-2-ylidenethiophen-2-imine is sourced from PubChem (CID 153342683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).