N-butyl-4-prop-2-enylidene-1,3-thiazol-5-imine

C10H14N2S — CID 91295431

IUPACN-butyl-4-prop-2-enylidene-1,3-thiazol-5-imine
SMILESC=CC=C1N=CS/C1=N\CCCC
InChIInChI=1S/C10H14N2S/c1-3-5-7-11-10-9(6-4-2)12-8-13-10/h4,6,8H,2-3,5,7H2,1H3/b9-6?,11-10-
InChIKeyYJOMKLQSDSFIGX-BHDYDZNQSA-N
MW194.30 g/mol
LogP3.03
Rot. Bonds4

About N-butyl-4-prop-2-enylidene-1,3-thiazol-5-imine

N-butyl-4-prop-2-enylidene-1,3-thiazol-5-imine (PubChem CID 91295431) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is N-butyl-4-prop-2-enylidene-1,3-thiazol-5-imine.

Molecular Properties

Compound NameN-butyl-4-prop-2-enylidene-1,3-thiazol-5-imine
PubChem CID91295431
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC NameN-butyl-4-prop-2-enylidene-1,3-thiazol-5-imine
SMILESC=CC=C1N=CS/C1=N\CCCC
InChIInChI=1S/C10H14N2S/c1-3-5-7-11-10-9(6-4-2)12-8-13-10/h4,6,8H,2-3,5,7H2,1H3/b9-6?,11-10-
InChIKeyYJOMKLQSDSFIGX-BHDYDZNQSA-N
XLogP3.03
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-but-2-enylidene-N-methyl-1,3-thiazol-5-imine
CID 90764624
N-methyl-4-prop-2-enylidene-1,3-thiazol-5-imine
CID 91101949
(4E)-4-[(Z)-but-2-enylidene]-N-methyl-1,3-thiazol-5-imine
CID 118667083
5-Ethylidene-4-prop-2-enylidene-1,3-thiazole
CID 123457592
(4E,5E)-5-ethylidene-4-prop-2-enylidene-1,3-thiazole
CID 124173797
(4E,5E)-4-ethylidene-5-prop-2-enylidene-1,3-thiazole
CID 138519855
(4E)-N-methyl-4-prop-2-enylidene-1,3-thiazol-5-imine
CID 139417005
(4E,5E)-4-[(Z)-but-2-enylidene]-5-ethylidene-1,3-thiazole
CID 142260644
ethane;(5E)-4-methylidene-5-prop-2-enylidene-1,3-thiazole
CID 142875396
(4E,5E)-4-[(Z)-but-2-enylidene]-5-prop-2-enylidene-1,3-thiazole
CID 143246959
ethane;(4E,5E)-5-ethylidene-4-prop-2-enylidene-1,3-thiazole
CID 143460094
(4E)-N-ethyl-4-prop-2-enylidene-1,3-thiazol-5-imine
CID 144001809

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-prop-2-enylidene-1,3-thiazol-5-imine?
The IUPAC name of N-butyl-4-prop-2-enylidene-1,3-thiazol-5-imine (CID 91295431) is N-butyl-4-prop-2-enylidene-1,3-thiazol-5-imine.
What is the SMILES notation for N-butyl-4-prop-2-enylidene-1,3-thiazol-5-imine?
The canonical SMILES for N-butyl-4-prop-2-enylidene-1,3-thiazol-5-imine is C=CC=C1N=CS/C1=N\CCCC.
What is the InChIKey of N-butyl-4-prop-2-enylidene-1,3-thiazol-5-imine?
The InChIKey is YJOMKLQSDSFIGX-BHDYDZNQSA-N. The full InChI is InChI=1S/C10H14N2S/c1-3-5-7-11-10-9(6-4-2)12-8-13-10/h4,6,8H,2-3,5,7H2,1H3/b9-6?,11-10-.
What are the key properties of N-butyl-4-prop-2-enylidene-1,3-thiazol-5-imine?
N-butyl-4-prop-2-enylidene-1,3-thiazol-5-imine has a molecular weight of 194.30 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-prop-2-enylidene-1,3-thiazol-5-imine is sourced from PubChem (CID 91295431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).