N-[(5,7-difluoroquinolin-6-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine

C14H10F2N4S — CID 168618071

IUPACN-[(5,7-difluoroquinolin-6-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2c(F)cc3ncccc3c2F)n1
InChIInChI=1S/C14H10F2N4S/c1-8-7-21-14(19-8)20-18-6-10-11(15)5-12-9(13(10)16)3-2-4-17-12/h2-7H,1H3,(H,19,20)
InChIKeyTXLKNLCWVBUJBP-UHFFFAOYSA-N
MW304.33 g/mol
LogP3.72
Rot. Bonds3

About N-[(5,7-difluoroquinolin-6-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine

N-[(5,7-difluoroquinolin-6-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine (PubChem CID 168618071) has the molecular formula C14H10F2N4S and a molecular weight of 304.33 g/mol. Its IUPAC name is N-[(5,7-difluoroquinolin-6-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(5,7-difluoroquinolin-6-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
PubChem CID168618071
Molecular FormulaC14H10F2N4S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC NameN-[(5,7-difluoroquinolin-6-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2c(F)cc3ncccc3c2F)n1
InChIInChI=1S/C14H10F2N4S/c1-8-7-21-14(19-8)20-18-6-10-11(15)5-12-9(13(10)16)3-2-4-17-12/h2-7H,1H3,(H,19,20)
InChIKeyTXLKNLCWVBUJBP-UHFFFAOYSA-N
XLogP3.72
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 53.72
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-[(3,6-dichloro-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617104
N-[(6-chloro-2,3-difluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617069
N-[(3-bromo-4-fluoro-2,6-dimethylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619430
N-[(4-fluoro-3,5-dimethylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618351
3-fluoro-2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzonitrile
CID 168619710
N-[(4-ethyl-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617225
N-[(3,5-difluoro-2-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617900
N-[(2,6-dimethoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168616905
N-[(2-bromo-3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168616988
N-[[3-[(2,6-difluorophenoxy)methyl]phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617523
N-[(4-bromo-3-chloro-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619608
4-methyl-N-[(2,3,6-trichlorophenyl)methylideneamino]-1,3-thiazol-2-amine
CID 2787296

Frequently Asked Questions

What is the IUPAC name of N-[(5,7-difluoroquinolin-6-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(5,7-difluoroquinolin-6-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine (CID 168618071) is N-[(5,7-difluoroquinolin-6-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(5,7-difluoroquinolin-6-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(5,7-difluoroquinolin-6-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine is Cc1csc(NN=Cc2c(F)cc3ncccc3c2F)n1.
What is the InChIKey of N-[(5,7-difluoroquinolin-6-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is TXLKNLCWVBUJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4S/c1-8-7-21-14(19-8)20-18-6-10-11(15)5-12-9(13(10)16)3-2-4-17-12/h2-7H,1H3,(H,19,20).
What are the key properties of N-[(5,7-difluoroquinolin-6-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine?
N-[(5,7-difluoroquinolin-6-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 304.33 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-difluoroquinolin-6-yl)methylideneamino]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168618071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).