4-methyl-N-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methylideneamino]-1,3-thiazol-2-amine

C16H14F3N5S — CID 168619411

IUPAC4-methyl-N-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2ccccc2-c2cc(C(F)(F)F)nn2C)n1
InChIInChI=1S/C16H14F3N5S/c1-10-9-25-15(21-10)22-20-8-11-5-3-4-6-12(11)13-7-14(16(17,18)19)23-24(13)2/h3-9H,1-2H3,(H,21,22)
InChIKeyCMGRCTKFLRVVSX-UHFFFAOYSA-N
MW365.38 g/mol
LogP4.32
Rot. Bonds4

About 4-methyl-N-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methylideneamino]-1,3-thiazol-2-amine

4-methyl-N-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methylideneamino]-1,3-thiazol-2-amine (PubChem CID 168619411) has the molecular formula C16H14F3N5S and a molecular weight of 365.38 g/mol. Its IUPAC name is 4-methyl-N-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methylideneamino]-1,3-thiazol-2-amine
PubChem CID168619411
Molecular FormulaC16H14F3N5S
Molecular Weight365.38 g/mol
Exact Mass365.09
IUPAC Name4-methyl-N-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methylideneamino]-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2ccccc2-c2cc(C(F)(F)F)nn2C)n1
InChIInChI=1S/C16H14F3N5S/c1-10-9-25-15(21-10)22-20-8-11-5-3-4-6-12(11)13-7-14(16(17,18)19)23-24(13)2/h3-9H,1-2H3,(H,21,22)
InChIKeyCMGRCTKFLRVVSX-UHFFFAOYSA-N
XLogP4.32
TPSA55.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 54.32
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'}

Analyze 4-methyl-N-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methylideneamino]-1,3-thiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenyl]benzoic acid
CID 168617822
N-[[2-iodo-5-(trifluoromethyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619493
4-methyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168617644
2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile
CID 168616860
N-[[2-(3,4-dimethylphenoxy)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619104
N-[(2-bromo-3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168616988
2-bromo-6-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-(trifluoromethyl)phenol
CID 168619700
4-bromo-2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-(trifluoromethyl)phenol
CID 168619541
2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 4036144
N-[[2-ethoxy-5-(trifluoromethyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619137
N-[[2-(2-chlorophenyl)sulfanylphenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618080
2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-4-(trifluoromethoxy)phenol
CID 168617008

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methylideneamino]-1,3-thiazol-2-amine (CID 168619411) is 4-methyl-N-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methylideneamino]-1,3-thiazol-2-amine is Cc1csc(NN=Cc2ccccc2-c2cc(C(F)(F)F)nn2C)n1.
What is the InChIKey of 4-methyl-N-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is CMGRCTKFLRVVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5S/c1-10-9-25-15(21-10)22-20-8-11-5-3-4-6-12(11)13-7-14(16(17,18)19)23-24(13)2/h3-9H,1-2H3,(H,21,22).
What are the key properties of 4-methyl-N-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methylideneamino]-1,3-thiazol-2-amine?
4-methyl-N-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 365.38 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 168619411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).