4-(1H-indol-3-yl)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]-1,3-thiazol-2-amine

C14H11F3N4S — CID 171983956

IUPAC4-(1H-indol-3-yl)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N\Nc1nc(-c2c[nH]c3ccccc23)cs1)C(F)(F)F
InChIInChI=1S/C14H11F3N4S/c1-8(14(15,16)17)20-21-13-19-12(7-22-13)10-6-18-11-5-3-2-4-9(10)11/h2-7,18H,1H3,(H,19,21)/b20-8+
InChIKeyOGHJEQWGKOKJKV-DNTJNYDQSA-N
MW324.33 g/mol
LogP4.64
Rot. Bonds3

About 4-(1H-indol-3-yl)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]-1,3-thiazol-2-amine

4-(1H-indol-3-yl)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]-1,3-thiazol-2-amine (PubChem CID 171983956) has the molecular formula C14H11F3N4S and a molecular weight of 324.33 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]-1,3-thiazol-2-amine
PubChem CID171983956
Molecular FormulaC14H11F3N4S
Molecular Weight324.33 g/mol
Exact Mass324.07
IUPAC Name4-(1H-indol-3-yl)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]-1,3-thiazol-2-amine
SMILESC/C(=N\Nc1nc(-c2c[nH]c3ccccc23)cs1)C(F)(F)F
InChIInChI=1S/C14H11F3N4S/c1-8(14(15,16)17)20-21-13-19-12(7-22-13)10-6-18-11-5-3-2-4-9(10)11/h2-7,18H,1H3,(H,19,21)/b20-8+
InChIKeyOGHJEQWGKOKJKV-DNTJNYDQSA-N
XLogP4.64
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 54.64
H-Bond Donors ≤ 52
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'}

Analyze 4-(1H-indol-3-yl)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]-1,3-thiazol-2-amine with MolForge

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Related Compounds

N-hexyl-4-(1H-indol-3-yl)-1,3-thiazol-2-amine
CID 45034189
2-(4-fluorophenyl)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 51535850
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 71893614
(2R)-2-acetamido-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 31510372
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 8839544
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 2566619
(1Z)-1-[[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]hydrazinylidene]-1-(1H-indol-3-yl)propan-2-one
CID 136602565
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 8839526
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methoxy-4-methylbenzamide
CID 55413859
cis-(1R,2S)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-nitrocyclopropane-1-carboxamide
CID 94134950
2-benzyl-4-(1H-indol-3-yl)-1,3-thiazole
CID 963414
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-3-carboxamide
CID 24562986

Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]-1,3-thiazol-2-amine?
The IUPAC name of 4-(1H-indol-3-yl)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]-1,3-thiazol-2-amine (CID 171983956) is 4-(1H-indol-3-yl)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1H-indol-3-yl)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]-1,3-thiazol-2-amine is C/C(=N\Nc1nc(-c2c[nH]c3ccccc23)cs1)C(F)(F)F.
What is the InChIKey of 4-(1H-indol-3-yl)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]-1,3-thiazol-2-amine?
The InChIKey is OGHJEQWGKOKJKV-DNTJNYDQSA-N. The full InChI is InChI=1S/C14H11F3N4S/c1-8(14(15,16)17)20-21-13-19-12(7-22-13)10-6-18-11-5-3-2-4-9(10)11/h2-7,18H,1H3,(H,19,21)/b20-8+.
What are the key properties of 4-(1H-indol-3-yl)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]-1,3-thiazol-2-amine?
4-(1H-indol-3-yl)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]-1,3-thiazol-2-amine has a molecular weight of 324.33 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-[(E)-1,1,1-trifluoropropan-2-ylideneamino]-1,3-thiazol-2-amine is sourced from PubChem (CID 171983956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).