3-prop-2-enyl-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine

C15H13N3S2 — CID 23990120

IUPAC3-prop-2-enyl-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESC=CCn1c(-c2cccs2)cs/c1=N\c1cccnc1
InChIInChI=1S/C15H13N3S2/c1-2-8-18-13(14-6-4-9-19-14)11-20-15(18)17-12-5-3-7-16-10-12/h2-7,9-11H,1,8H2/b17-15-
InChIKeyLNUYTTRFRJDOJW-ICFOKQHNSA-N
MW299.42 g/mol
LogP4.09
Rot. Bonds4

About 3-prop-2-enyl-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine

3-prop-2-enyl-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine (PubChem CID 23990120) has the molecular formula C15H13N3S2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-prop-2-enyl-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-prop-2-enyl-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
PubChem CID23990120
Molecular FormulaC15H13N3S2
Molecular Weight299.42 g/mol
Exact Mass299.06
IUPAC Name3-prop-2-enyl-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESC=CCn1c(-c2cccs2)cs/c1=N\c1cccnc1
InChIInChI=1S/C15H13N3S2/c1-2-8-18-13(14-6-4-9-19-14)11-20-15(18)17-12-5-3-7-16-10-12/h2-7,9-11H,1,8H2/b17-15-
InChIKeyLNUYTTRFRJDOJW-ICFOKQHNSA-N
XLogP4.09
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(3-imidazol-1-ylpropyl)-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine;hydrobromide
CID 42917360
4-phenyl-N-[4-[(4-phenyl-3-prop-2-enyl-1,3-thiazol-2-ylidene)amino]phenyl]-3-prop-2-enyl-1,3-thiazol-2-imine
CID 9498727
4-phenyl-N-(4-phenylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine;hydrobromide
CID 45125396
3-benzyl-N-phenyl-4-thiophen-2-yl-1,3-thiazol-2-imine;hydrobromide
CID 56726121
3-[1-(3,4-dimethylphenyl)ethylideneamino]-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23740219
4-methyl-3-pentyl-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 56972596
4-(3-bromophenyl)-3-(2-methylpropyl)-N-pyridin-3-yl-1,3-thiazol-2-imine
CID 23736496
3-(furan-2-ylmethyl)-N-phenyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23883340
N-(3,4-dichlorophenyl)-3-(2-methoxyethyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23911708
3-butyl-N-(4-fluorophenyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23762274
4-(4-chlorophenyl)-N-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-2-imine;hydrobromide
CID 45125372
N-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23740492

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enyl-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The IUPAC name of 3-prop-2-enyl-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine (CID 23990120) is 3-prop-2-enyl-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-prop-2-enyl-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for 3-prop-2-enyl-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine is C=CCn1c(-c2cccs2)cs/c1=N\c1cccnc1.
What is the InChIKey of 3-prop-2-enyl-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The InChIKey is LNUYTTRFRJDOJW-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H13N3S2/c1-2-8-18-13(14-6-4-9-19-14)11-20-15(18)17-12-5-3-7-16-10-12/h2-7,9-11H,1,8H2/b17-15-.
What are the key properties of 3-prop-2-enyl-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine?
3-prop-2-enyl-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine has a molecular weight of 299.42 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23990120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).