N-(propan-2-ylideneamino)-4-(trifluoromethyl)-1,3-thiazol-2-amine

C7H8F3N3S — CID 22903810

IUPACN-(propan-2-ylideneamino)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCC(C)=NNc1nc(C(F)(F)F)cs1
InChIInChI=1S/C7H8F3N3S/c1-4(2)12-13-6-11-5(3-14-6)7(8,9)10/h3H,1-2H3,(H,11,13)
InChIKeyIJABVTVPBJLSHF-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.97
Rot. Bonds2

About N-(propan-2-ylideneamino)-4-(trifluoromethyl)-1,3-thiazol-2-amine

N-(propan-2-ylideneamino)-4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 22903810) has the molecular formula C7H8F3N3S and a molecular weight of 223.22 g/mol. Its IUPAC name is N-(propan-2-ylideneamino)-4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(propan-2-ylideneamino)-4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID22903810
Molecular FormulaC7H8F3N3S
Molecular Weight223.22 g/mol
Exact Mass223.04
IUPAC NameN-(propan-2-ylideneamino)-4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESCC(C)=NNc1nc(C(F)(F)F)cs1
InChIInChI=1S/C7H8F3N3S/c1-4(2)12-13-6-11-5(3-14-6)7(8,9)10/h3H,1-2H3,(H,11,13)
InChIKeyIJABVTVPBJLSHF-UHFFFAOYSA-N
XLogP2.97
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.97
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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Frequently Asked Questions

What is the IUPAC name of N-(propan-2-ylideneamino)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(propan-2-ylideneamino)-4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 22903810) is N-(propan-2-ylideneamino)-4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(propan-2-ylideneamino)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(propan-2-ylideneamino)-4-(trifluoromethyl)-1,3-thiazol-2-amine is CC(C)=NNc1nc(C(F)(F)F)cs1.
What is the InChIKey of N-(propan-2-ylideneamino)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is IJABVTVPBJLSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3S/c1-4(2)12-13-6-11-5(3-14-6)7(8,9)10/h3H,1-2H3,(H,11,13).
What are the key properties of N-(propan-2-ylideneamino)-4-(trifluoromethyl)-1,3-thiazol-2-amine?
N-(propan-2-ylideneamino)-4-(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 223.22 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(propan-2-ylideneamino)-4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 22903810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).