3-(3-methylbutylideneamino)-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine

C15H19N3S2 — CID 23910433

IUPAC3-(3-methylbutylideneamino)-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2cccs2)n1N=CCC(C)C
InChIInChI=1S/C15H19N3S2/c1-4-8-16-15-18(17-9-7-12(2)3)13(11-20-15)14-6-5-10-19-14/h4-6,9-12H,1,7-8H2,2-3H3/b16-15-,17-9?
InChIKeyMXTUMTMOUXLBEC-JWTJGMJASA-N
MW305.47 g/mol
LogP4.24
Rot. Bonds6

About 3-(3-methylbutylideneamino)-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine

3-(3-methylbutylideneamino)-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine (PubChem CID 23910433) has the molecular formula C15H19N3S2 and a molecular weight of 305.47 g/mol. Its IUPAC name is 3-(3-methylbutylideneamino)-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound Name3-(3-methylbutylideneamino)-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine
PubChem CID23910433
Molecular FormulaC15H19N3S2
Molecular Weight305.47 g/mol
Exact Mass305.10
IUPAC Name3-(3-methylbutylideneamino)-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESC=CC/N=c1\scc(-c2cccs2)n1N=CCC(C)C
InChIInChI=1S/C15H19N3S2/c1-4-8-16-15-18(17-9-7-12(2)3)13(11-20-15)14-6-5-10-19-14/h4-6,9-12H,1,7-8H2,2-3H3/b16-15-,17-9?
InChIKeyMXTUMTMOUXLBEC-JWTJGMJASA-N
XLogP4.24
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chlorophenyl)methylideneamino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23934393
3-[(3-methylcyclohexylidene)amino]-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23876238
4-[(2-prop-2-enylimino-4-thiophen-2-yl-1,3-thiazol-3-yl)iminomethyl]benzene-1,3-diol
CID 135721962
N-ethyl-3-[(5-methylthiophen-2-yl)methylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23792028
3-[(4-methylphenyl)methylideneamino]-N-propan-2-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23884154
4-(5-bromothiophen-2-yl)-N-prop-2-enyl-3-(pyridin-2-ylmethylideneamino)-1,3-thiazol-2-imine
CID 2496340
3-(2,2-diphenylethylideneamino)-4-(2-methoxyphenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 23734721
3-(benzylideneamino)-4-(2-fluorophenyl)-N-prop-2-enyl-1,3-thiazol-2-imine
CID 23911393
3-(butan-2-ylideneamino)-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 3672467
4-(5-bromothiophen-2-yl)-3-[[2-(difluoromethoxy)phenyl]methylideneamino]-N-prop-2-enyl-1,3-thiazol-2-imine
CID 2494492
3-[[4-(4-methylphenyl)-2-prop-2-enylimino-1,3-thiazol-3-yl]iminomethyl]benzene-1,2-diol
CID 135839067
N-ethyl-3-(1H-indol-3-ylmethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 2457721

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutylideneamino)-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The IUPAC name of 3-(3-methylbutylideneamino)-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine (CID 23910433) is 3-(3-methylbutylideneamino)-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for 3-(3-methylbutylideneamino)-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for 3-(3-methylbutylideneamino)-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine is C=CC/N=c1\scc(-c2cccs2)n1N=CCC(C)C.
What is the InChIKey of 3-(3-methylbutylideneamino)-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine?
The InChIKey is MXTUMTMOUXLBEC-JWTJGMJASA-N. The full InChI is InChI=1S/C15H19N3S2/c1-4-8-16-15-18(17-9-7-12(2)3)13(11-20-15)14-6-5-10-19-14/h4-6,9-12H,1,7-8H2,2-3H3/b16-15-,17-9?.
What are the key properties of 3-(3-methylbutylideneamino)-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine?
3-(3-methylbutylideneamino)-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine has a molecular weight of 305.47 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutylideneamino)-N-prop-2-enyl-4-thiophen-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23910433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).