4-(4-methoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-amine

C17H16N4OS — CID 51032949

IUPAC4-(4-methoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(N/N=C(/C)c3cccnc3)n2)cc1
InChIInChI=1S/C17H16N4OS/c1-12(14-4-3-9-18-10-14)20-21-17-19-16(11-23-17)13-5-7-15(22-2)8-6-13/h3-11H,1-2H3,(H,19,21)/b20-12-
InChIKeyABWOLRLIZQMBCY-NDENLUEZSA-N
MW324.41 g/mol
LogP4.05
Rot. Bonds5

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

4-(4-methoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-amine (PubChem CID 51032949) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-amine
PubChem CID51032949
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name4-(4-methoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(N/N=C(/C)c3cccnc3)n2)cc1
InChIInChI=1S/C17H16N4OS/c1-12(14-4-3-9-18-10-14)20-21-17-19-16(11-23-17)13-5-7-15(22-2)8-6-13/h3-11H,1-2H3,(H,19,21)/b20-12-
InChIKeyABWOLRLIZQMBCY-NDENLUEZSA-N
XLogP4.05
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-(4-bromophenyl)-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]-1,3-thiazol-2-amine;hydrobromide
CID 90484602
4-(2,4-difluorophenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-amine
CID 71451200
4-(4-methylphenyl)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-1,3-thiazol-2-amine
CID 5333462
N-[(E)-1-(4-methylphenyl)ethylideneamino]-4-[4-[2-[(2E)-2-[1-(4-methylphenyl)ethylidene]hydrazinyl]-1,3-thiazol-4-yl]phenyl]-1,3-thiazol-2-amine
CID 139236117
4-naphthalen-2-yl-N-[(E)-1-phenylethylideneamino]-1,3-thiazol-2-amine
CID 90665494
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 3136866
4-(4-methoxyphenyl)-N-[(Z)-1-phenylpropan-2-ylideneamino]-1,3-thiazol-2-amine;hydrobromide
CID 172886714
N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 23102412
4-methoxy-2-[2-[(2E)-2-(1-pyridin-4-ylethylidene)hydrazinyl]-1,3-thiazol-4-yl]phenol
CID 46204456
4-[2-[(2E)-2-(1-phenylethylidene)hydrazinyl]-1,3-thiazol-4-yl]benzonitrile
CID 71540248
N-[bis[4-(dimethylamino)phenyl]methylideneamino]-4-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 4086590
4-(4-methylphenyl)-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]-1,3-thiazol-2-amine
CID 17368289

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-amine (CID 51032949) is 4-(4-methoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-amine is COc1ccc(-c2csc(N/N=C(/C)c3cccnc3)n2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-amine?
The InChIKey is ABWOLRLIZQMBCY-NDENLUEZSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-12(14-4-3-9-18-10-14)20-21-17-19-16(11-23-17)13-5-7-15(22-2)8-6-13/h3-11H,1-2H3,(H,19,21)/b20-12-.
What are the key properties of 4-(4-methoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-amine?
4-(4-methoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-amine has a molecular weight of 324.41 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[(Z)-1-pyridin-3-ylethylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 51032949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).