N-[[4-(difluoromethyl)-2,5-difluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine

C12H9F4N3S — CID 168619252

IUPACN-[[4-(difluoromethyl)-2,5-difluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2cc(F)c(C(F)F)cc2F)n1
InChIInChI=1S/C12H9F4N3S/c1-6-5-20-12(18-6)19-17-4-7-2-10(14)8(11(15)16)3-9(7)13/h2-5,11H,1H3,(H,18,19)
InChIKeyPRHQSIQGMFLDBA-UHFFFAOYSA-N
MW303.28 g/mol
LogP4.11
Rot. Bonds4

About N-[[4-(difluoromethyl)-2,5-difluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine

N-[[4-(difluoromethyl)-2,5-difluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine (PubChem CID 168619252) has the molecular formula C12H9F4N3S and a molecular weight of 303.28 g/mol. Its IUPAC name is N-[[4-(difluoromethyl)-2,5-difluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[[4-(difluoromethyl)-2,5-difluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
PubChem CID168619252
Molecular FormulaC12H9F4N3S
Molecular Weight303.28 g/mol
Exact Mass303.05
IUPAC NameN-[[4-(difluoromethyl)-2,5-difluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2cc(F)c(C(F)F)cc2F)n1
InChIInChI=1S/C12H9F4N3S/c1-6-5-20-12(18-6)19-17-4-7-2-10(14)8(11(15)16)3-9(7)13/h2-5,11H,1H3,(H,18,19)
InChIKeyPRHQSIQGMFLDBA-UHFFFAOYSA-N
XLogP4.11
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(4-ethyl-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617225
N-[(2-bromo-4-fluoro-5-methylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618021
N-[(5-ethynyl-2-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619478
4-methyl-N-[(2,4,5-trimethoxyphenyl)methylideneamino]-1,3-thiazol-2-amine
CID 74170458
N-[(3,5-difluoro-2-methoxyphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617900
N-[[2-(difluoromethoxy)-4-fluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619693
N-[[5-chloro-2-(difluoromethoxy)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619154
N-[(2-bromo-3-fluorophenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168616988
N-[(4-fluoro-3,5-dimethylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618351
N-[(3-bromo-4-fluoro-2,6-dimethylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619430
4-iodo-3-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 168618025
N-[[2-ethoxy-5-(trifluoromethyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619137

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethyl)-2,5-difluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[[4-(difluoromethyl)-2,5-difluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine (CID 168619252) is N-[[4-(difluoromethyl)-2,5-difluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[[4-(difluoromethyl)-2,5-difluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[[4-(difluoromethyl)-2,5-difluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine is Cc1csc(NN=Cc2cc(F)c(C(F)F)cc2F)n1.
What is the InChIKey of N-[[4-(difluoromethyl)-2,5-difluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is PRHQSIQGMFLDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4N3S/c1-6-5-20-12(18-6)19-17-4-7-2-10(14)8(11(15)16)3-9(7)13/h2-5,11H,1H3,(H,18,19).
What are the key properties of N-[[4-(difluoromethyl)-2,5-difluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine?
N-[[4-(difluoromethyl)-2,5-difluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 303.28 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethyl)-2,5-difluorophenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 168619252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).