4-(2,4-dimethylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine

C17H16N4S — CID 110538193

IUPAC4-(2,4-dimethylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine
SMILESCc1ccc(-c2csc(N/N=C\c3ccncc3)n2)c(C)c1
InChIInChI=1S/C17H16N4S/c1-12-3-4-15(13(2)9-12)16-11-22-17(20-16)21-19-10-14-5-7-18-8-6-14/h3-11H,1-2H3,(H,20,21)/b19-10-
InChIKeyMAWNLTYJHSPLSZ-GRSHGNNSSA-N
MW308.41 g/mol
LogP4.27
Rot. Bonds4

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

4-(2,4-dimethylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine (PubChem CID 110538193) has the molecular formula C17H16N4S and a molecular weight of 308.41 g/mol. Its IUPAC name is 4-(2,4-dimethylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-dimethylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine
PubChem CID110538193
Molecular FormulaC17H16N4S
Molecular Weight308.41 g/mol
Exact Mass308.11
IUPAC Name4-(2,4-dimethylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine
SMILESCc1ccc(-c2csc(N/N=C\c3ccncc3)n2)c(C)c1
InChIInChI=1S/C17H16N4S/c1-12-3-4-15(13(2)9-12)16-11-22-17(20-16)21-19-10-14-5-7-18-8-6-14/h3-11H,1-2H3,(H,20,21)/b19-10-
InChIKeyMAWNLTYJHSPLSZ-GRSHGNNSSA-N
XLogP4.27
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.27
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-[(Z)-(4-bromophenyl)methylideneamino]-4-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 110533320
4-(2,4-dimethylphenyl)-N-[(E)-(4-fluorophenyl)methylideneamino]-1,3-thiazol-2-amine bromide
CID 21203586
4-(2,4-dimethylphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1,3-thiazol-2-amine
CID 110537943
3-[(Z)-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]phenol
CID 110537464
4-(3,4-dimethylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine
CID 110538194
4-[(Z)-[[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-2-methoxyphenol
CID 136822056
4-(2,4-dimethylphenyl)-N-[(Z)-(3-propoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 110534703
N-[(E)-benzylideneamino]-4-(3-methylazulen-1-yl)-1,3-thiazol-2-amine
CID 11393768
4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine;hydrochloride
CID 54602728
4-(2,4-dimethylphenyl)-N-[(Z)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 110529730
N-[(Z)-pyridin-4-ylmethylideneamino]-4-thiophen-2-yl-1,3-thiazol-2-amine
CID 110539249
4-(2,4-dimethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 17465165

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-dimethylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine (CID 110538193) is 4-(2,4-dimethylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-dimethylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-dimethylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine is Cc1ccc(-c2csc(N/N=C\c3ccncc3)n2)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is MAWNLTYJHSPLSZ-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H16N4S/c1-12-3-4-15(13(2)9-12)16-11-22-17(20-16)21-19-10-14-5-7-18-8-6-14/h3-11H,1-2H3,(H,20,21)/b19-10-.
What are the key properties of 4-(2,4-dimethylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine?
4-(2,4-dimethylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 308.41 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 110538193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).