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

C14H10F3N3S2 — CID 168619215

IUPAC4-methyl-N-[[3-(trifluoromethyl)-1-benzothiophen-5-yl]methylideneamino]-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2ccc3scc(C(F)(F)F)c3c2)n1
InChIInChI=1S/C14H10F3N3S2/c1-8-6-22-13(19-8)20-18-5-9-2-3-12-10(4-9)11(7-21-12)14(15,16)17/h2-7H,1H3,(H,19,20)
InChIKeyPWSZNIVPWULZID-UHFFFAOYSA-N
MW341.38 g/mol
LogP5.13
Rot. Bonds3

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

4-methyl-N-[[3-(trifluoromethyl)-1-benzothiophen-5-yl]methylideneamino]-1,3-thiazol-2-amine (PubChem CID 168619215) has the molecular formula C14H10F3N3S2 and a molecular weight of 341.38 g/mol. Its IUPAC name is 4-methyl-N-[[3-(trifluoromethyl)-1-benzothiophen-5-yl]methylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[[3-(trifluoromethyl)-1-benzothiophen-5-yl]methylideneamino]-1,3-thiazol-2-amine
PubChem CID168619215
Molecular FormulaC14H10F3N3S2
Molecular Weight341.38 g/mol
Exact Mass341.03
IUPAC Name4-methyl-N-[[3-(trifluoromethyl)-1-benzothiophen-5-yl]methylideneamino]-1,3-thiazol-2-amine
SMILESCc1csc(NN=Cc2ccc3scc(C(F)(F)F)c3c2)n1
InChIInChI=1S/C14H10F3N3S2/c1-8-6-22-13(19-8)20-18-5-9-2-3-12-10(4-9)11(7-21-12)14(15,16)17/h2-7H,1H3,(H,19,20)
InChIKeyPWSZNIVPWULZID-UHFFFAOYSA-N
XLogP5.13
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.38
LogP ≤ 55.13
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

4-methyl-N-[[4-piperidin-1-yl-3-(trifluoromethyl)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168617739
4-methyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168617644
4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]benzene-1,2-diol
CID 4642843
N-[[4-iodo-3-(trifluoromethoxy)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619225
4-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-2-(trifluoromethoxy)phenol
CID 168619251
N-[[3-iodo-5-(trifluoromethyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619158
N-[[2-iodo-5-(trifluoromethyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168619493
2-bromo-4-[(Z)-[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]phenol
CID 136822257
N-[(4-fluoro-3,5-dimethylphenyl)methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168618351
N-[[2,6-dichloro-3-(trifluoromethyl)phenyl]methylideneamino]-4-methyl-1,3-thiazol-2-amine
CID 168617137
4-bromo-2-[[(4-methyl-1,3-thiazol-2-yl)hydrazinylidene]methyl]-6-(trifluoromethyl)phenol
CID 168619541
4-methyl-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylideneamino]-1,3-thiazol-2-amine
CID 168616900

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[3-(trifluoromethyl)-1-benzothiophen-5-yl]methylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[[3-(trifluoromethyl)-1-benzothiophen-5-yl]methylideneamino]-1,3-thiazol-2-amine (CID 168619215) is 4-methyl-N-[[3-(trifluoromethyl)-1-benzothiophen-5-yl]methylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[[3-(trifluoromethyl)-1-benzothiophen-5-yl]methylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[[3-(trifluoromethyl)-1-benzothiophen-5-yl]methylideneamino]-1,3-thiazol-2-amine is Cc1csc(NN=Cc2ccc3scc(C(F)(F)F)c3c2)n1.
What is the InChIKey of 4-methyl-N-[[3-(trifluoromethyl)-1-benzothiophen-5-yl]methylideneamino]-1,3-thiazol-2-amine?
The InChIKey is PWSZNIVPWULZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3S2/c1-8-6-22-13(19-8)20-18-5-9-2-3-12-10(4-9)11(7-21-12)14(15,16)17/h2-7H,1H3,(H,19,20).
What are the key properties of 4-methyl-N-[[3-(trifluoromethyl)-1-benzothiophen-5-yl]methylideneamino]-1,3-thiazol-2-amine?
4-methyl-N-[[3-(trifluoromethyl)-1-benzothiophen-5-yl]methylideneamino]-1,3-thiazol-2-amine has a molecular weight of 341.38 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[3-(trifluoromethyl)-1-benzothiophen-5-yl]methylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 168619215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).