N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine

C16H17N5S — CID 168617098

IUPACN-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCc1cc(C)c(C=NNc2nc(C)cs2)c(-n2cccn2)c1
InChIInChI=1S/C16H17N5S/c1-11-7-12(2)14(15(8-11)21-6-4-5-18-21)9-17-20-16-19-13(3)10-22-16/h4-10H,1-3H3,(H,19,20)
InChIKeyGBNDHYBYYPUFMC-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.70
Rot. Bonds4

About N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine

N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine (PubChem CID 168617098) has the molecular formula C16H17N5S and a molecular weight of 311.41 g/mol. Its IUPAC name is N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
PubChem CID168617098
Molecular FormulaC16H17N5S
Molecular Weight311.41 g/mol
Exact Mass311.12
IUPAC NameN-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCc1cc(C)c(C=NNc2nc(C)cs2)c(-n2cccn2)c1
InChIInChI=1S/C16H17N5S/c1-11-7-12(2)14(15(8-11)21-6-4-5-18-21)9-17-20-16-19-13(3)10-22-16/h4-10H,1-3H3,(H,19,20)
InChIKeyGBNDHYBYYPUFMC-UHFFFAOYSA-N
XLogP3.70
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.70
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

N-[(3-bromo-4-fluoro-2,6-dimethylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619430
N-[(2,6-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168616905
N-[(4-fluoro-3,5-dimethylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618351
4-methyl-N-[(2,3,6-trichlorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 2787296
4-methyl-N-[(E)-pyridin-4-ylmethylideneamino]-1,3-thiazol-2-amine;hydrochloride
CID 54602728
N-[(5-fluoro-2-pyrazol-1-ylphenyl)methylideneamino]-4-phenyl-1,3-thiazol-2-amine
CID 168577342
N-[(5,7-difluoroquinolin-6-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618071
N-[[4-ethoxy-3-(pyrazol-1-ylmethyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618652
N-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617104
N-[(Z)-(1-ethyl-2-methylindol-3-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 110538665
4-methyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 74170458
[2,6-dimethoxy-4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]boronic acid
CID 168619326

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine (CID 168617098) is N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine is Cc1cc(C)c(C=NNc2nc(C)cs2)c(-n2cccn2)c1.
What is the InChIKey of N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is GBNDHYBYYPUFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5S/c1-11-7-12(2)14(15(8-11)21-6-4-5-18-21)9-17-20-16-19-13(3)10-22-16/h4-10H,1-3H3,(H,19,20).
What are the key properties of N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 311.41 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168617098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).