N-[7-(1-amino-3-methyliminoprop-1-en-2-yl)-1,5-naphthyridin-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

C15H12F3N7S — CID 157355412

IUPACN-[7-(1-amino-3-methyliminoprop-1-en-2-yl)-1,5-naphthyridin-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESC/N=C/C(=CN)c1cnc2ccc(Nc3nnc(C(F)(F)F)s3)nc2c1
InChIInChI=1S/C15H12F3N7S/c1-20-6-9(5-19)8-4-11-10(21-7-8)2-3-12(22-11)23-14-25-24-13(26-14)15(16,17)18/h2-7H,19H2,1H3,(H,22,23,25)/b9-5?,20-6+
InChIKeyKGLMFCZSRKWRCK-OIVXVGHCSA-N
MW379.37 g/mol
LogP3.24
Rot. Bonds4

About N-[7-(1-amino-3-methyliminoprop-1-en-2-yl)-1,5-naphthyridin-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine

N-[7-(1-amino-3-methyliminoprop-1-en-2-yl)-1,5-naphthyridin-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 157355412) has the molecular formula C15H12F3N7S and a molecular weight of 379.37 g/mol. Its IUPAC name is N-[7-(1-amino-3-methyliminoprop-1-en-2-yl)-1,5-naphthyridin-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[7-(1-amino-3-methyliminoprop-1-en-2-yl)-1,5-naphthyridin-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
PubChem CID157355412
Molecular FormulaC15H12F3N7S
Molecular Weight379.37 g/mol
Exact Mass379.08
IUPAC NameN-[7-(1-amino-3-methyliminoprop-1-en-2-yl)-1,5-naphthyridin-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
SMILESC/N=C/C(=CN)c1cnc2ccc(Nc3nnc(C(F)(F)F)s3)nc2c1
InChIInChI=1S/C15H12F3N7S/c1-20-6-9(5-19)8-4-11-10(21-7-8)2-3-12(22-11)23-14-25-24-13(26-14)15(16,17)18/h2-7H,19H2,1H3,(H,22,23,25)/b9-5?,20-6+
InChIKeyKGLMFCZSRKWRCK-OIVXVGHCSA-N
XLogP3.24
TPSA101.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[7-(1-amino-3-methyliminoprop-1-en-2-yl)-1,5-naphthyridin-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[7-(1-amino-3-methyliminoprop-1-en-2-yl)-1,5-naphthyridin-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine (CID 157355412) is N-[7-(1-amino-3-methyliminoprop-1-en-2-yl)-1,5-naphthyridin-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[7-(1-amino-3-methyliminoprop-1-en-2-yl)-1,5-naphthyridin-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[7-(1-amino-3-methyliminoprop-1-en-2-yl)-1,5-naphthyridin-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is C/N=C/C(=CN)c1cnc2ccc(Nc3nnc(C(F)(F)F)s3)nc2c1.
What is the InChIKey of N-[7-(1-amino-3-methyliminoprop-1-en-2-yl)-1,5-naphthyridin-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is KGLMFCZSRKWRCK-OIVXVGHCSA-N. The full InChI is InChI=1S/C15H12F3N7S/c1-20-6-9(5-19)8-4-11-10(21-7-8)2-3-12(22-11)23-14-25-24-13(26-14)15(16,17)18/h2-7H,19H2,1H3,(H,22,23,25)/b9-5?,20-6+.
What are the key properties of N-[7-(1-amino-3-methyliminoprop-1-en-2-yl)-1,5-naphthyridin-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine?
N-[7-(1-amino-3-methyliminoprop-1-en-2-yl)-1,5-naphthyridin-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 379.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(1-amino-3-methyliminoprop-1-en-2-yl)-1,5-naphthyridin-2-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 157355412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).