4-(4-ethylphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine

C17H16N4S — CID 45124174

IUPAC4-(4-ethylphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine
SMILESCCc1ccc(-c2csc(N/N=C/c3cccnc3)n2)cc1
InChIInChI=1S/C17H16N4S/c1-2-13-5-7-15(8-6-13)16-12-22-17(20-16)21-19-11-14-4-3-9-18-10-14/h3-12H,2H2,1H3,(H,20,21)/b19-11+
InChIKeyMQTFYPZUOUXXNU-YBFXNURJSA-N
MW308.41 g/mol
LogP4.21
Rot. Bonds5

About 4-(4-ethylphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine

4-(4-ethylphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine (PubChem CID 45124174) has the molecular formula C17H16N4S and a molecular weight of 308.41 g/mol. Its IUPAC name is 4-(4-ethylphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-ethylphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine
PubChem CID45124174
Molecular FormulaC17H16N4S
Molecular Weight308.41 g/mol
Exact Mass308.11
IUPAC Name4-(4-ethylphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine
SMILESCCc1ccc(-c2csc(N/N=C/c3cccnc3)n2)cc1
InChIInChI=1S/C17H16N4S/c1-2-13-5-7-15(8-6-13)16-12-22-17(20-16)21-19-11-14-4-3-9-18-10-14/h3-12H,2H2,1H3,(H,20,21)/b19-11+
InChIKeyMQTFYPZUOUXXNU-YBFXNURJSA-N
XLogP4.21
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(dimethylamino)phenyl]methylideneamino]-4-(4-ethylphenyl)-1,3-thiazol-2-amine
CID 3136073
4-methyl-5-[2-[2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
CID 2867543
4-[2-[(2E)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzene-1,3-diol
CID 45124176
ethyl 2-[2-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 5350042
4-(4-ethylphenyl)-2-pyridin-3-yl-1,3-thiazole
CID 849786
N-[(Z)-(3-ethoxyphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 27277708
N-[[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577708
N-[(3-methoxyphenyl)methylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 3138871
4-phenyl-N-[[4-(pyrazol-1-ylmethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168577322
4-(4-chlorophenyl)-N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 27270491
N-[(Z)-(3-butoxyphenyl)methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 110533642
N-[[3-[(4-ethylphenoxy)methyl]-4-methoxyphenyl]methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168576858

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-ethylphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine (CID 45124174) is 4-(4-ethylphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-ethylphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-ethylphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine is CCc1ccc(-c2csc(N/N=C/c3cccnc3)n2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is MQTFYPZUOUXXNU-YBFXNURJSA-N. The full InChI is InChI=1S/C17H16N4S/c1-2-13-5-7-15(8-6-13)16-12-22-17(20-16)21-19-11-14-4-3-9-18-10-14/h3-12H,2H2,1H3,(H,20,21)/b19-11+.
What are the key properties of 4-(4-ethylphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine?
4-(4-ethylphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 308.41 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 45124174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).