N-(2-methylprop-2-enyl)-3-(1-pyridin-3-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine

C18H18N4S2 — CID 23799743

IUPACN-(2-methylprop-2-enyl)-3-(1-pyridin-3-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESC=C(C)C/N=c1\scc(-c2cccs2)n1N=C(C)c1cccnc1
InChIInChI=1S/C18H18N4S2/c1-13(2)10-20-18-22(16(12-24-18)17-7-5-9-23-17)21-14(3)15-6-4-8-19-11-15/h4-9,11-12H,1,10H2,2-3H3/b20-18-,21-14?
InChIKeySBKMRTVHCFYKDC-XHXBAYKJSA-N
MW354.50 g/mol
LogP4.42
Rot. Bonds5

About N-(2-methylprop-2-enyl)-3-(1-pyridin-3-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine

N-(2-methylprop-2-enyl)-3-(1-pyridin-3-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine (PubChem CID 23799743) has the molecular formula C18H18N4S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-3-(1-pyridin-3-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-3-(1-pyridin-3-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine
PubChem CID23799743
Molecular FormulaC18H18N4S2
Molecular Weight354.50 g/mol
Exact Mass354.10
IUPAC NameN-(2-methylprop-2-enyl)-3-(1-pyridin-3-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine
SMILESC=C(C)C/N=c1\scc(-c2cccs2)n1N=C(C)c1cccnc1
InChIInChI=1S/C18H18N4S2/c1-13(2)10-20-18-22(16(12-24-18)17-7-5-9-23-17)21-14(3)15-6-4-8-19-11-15/h4-9,11-12H,1,10H2,2-3H3/b20-18-,21-14?
InChIKeySBKMRTVHCFYKDC-XHXBAYKJSA-N
XLogP4.42
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

4-(2,5-dichlorophenyl)-N-(2-methylprop-2-enyl)-3-(1-pyridin-3-ylethylideneamino)-1,3-thiazol-2-imine
CID 23826759
N-(2,4-dimethylphenyl)-3-(1-pyridin-3-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23935653
3-[1-(3,4-dimethylphenyl)ethylideneamino]-N-pyridin-3-yl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23740219
4-naphthalen-1-yl-N-pyridin-3-yl-3-(1-pyridin-3-ylethylideneamino)-1,3-thiazol-2-imine
CID 23958813
N-(2-chlorophenyl)-3-(1-pyridin-4-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23907971
3-(butan-2-ylideneamino)-N-ethyl-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 3672467
2-ethoxy-4-[[2-(2-methylprop-2-enylimino)-4-thiophen-2-yl-1,3-thiazol-3-yl]iminomethyl]phenol
CID 135676743
3-[1-(4-methylphenyl)ethylideneamino]-N-(2-methylprop-2-enyl)-4-(4-nitrophenyl)-1,3-thiazol-2-imine
CID 23767388
3-[(4-ethoxy-3-methoxyphenyl)methylideneamino]-N-(2-methylprop-2-enyl)-4-thiophen-2-yl-1,3-thiazol-2-imine
CID 23761943
N-(2-methylprop-2-enyl)-4-(4-nitrophenyl)-3-(1-pyridin-2-ylethylideneamino)-1,3-thiazol-2-imine
CID 23768745
3-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-(4-methoxyphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
CID 23967743
3-[1-(4-cyclohexylphenyl)ethylideneamino]-4-(4-methylphenyl)-N-(2-methylprop-2-enyl)-1,3-thiazol-2-imine
CID 3297229

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-3-(1-pyridin-3-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine?
The IUPAC name of N-(2-methylprop-2-enyl)-3-(1-pyridin-3-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine (CID 23799743) is N-(2-methylprop-2-enyl)-3-(1-pyridin-3-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine.
What is the SMILES notation for N-(2-methylprop-2-enyl)-3-(1-pyridin-3-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine?
The canonical SMILES for N-(2-methylprop-2-enyl)-3-(1-pyridin-3-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine is C=C(C)C/N=c1\scc(-c2cccs2)n1N=C(C)c1cccnc1.
What is the InChIKey of N-(2-methylprop-2-enyl)-3-(1-pyridin-3-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine?
The InChIKey is SBKMRTVHCFYKDC-XHXBAYKJSA-N. The full InChI is InChI=1S/C18H18N4S2/c1-13(2)10-20-18-22(16(12-24-18)17-7-5-9-23-17)21-14(3)15-6-4-8-19-11-15/h4-9,11-12H,1,10H2,2-3H3/b20-18-,21-14?.
What are the key properties of N-(2-methylprop-2-enyl)-3-(1-pyridin-3-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine?
N-(2-methylprop-2-enyl)-3-(1-pyridin-3-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine has a molecular weight of 354.50 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-3-(1-pyridin-3-ylethylideneamino)-4-thiophen-2-yl-1,3-thiazol-2-imine is sourced from PubChem (CID 23799743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).