2-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-2,5-diamine

C7H8F3N3S — CID 106217375

IUPAC2-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-2,5-diamine
SMILESNc1cnc(NC2(C(F)(F)F)CC2)s1
InChIInChI=1S/C7H8F3N3S/c8-7(9,10)6(1-2-6)13-5-12-3-4(11)14-5/h3H,1-2,11H2,(H,12,13)
InChIKeyCPRBNHZKCXQGLT-UHFFFAOYSA-N
MW223.22 g/mol
LogP2.23
Rot. Bonds2

About 2-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-2,5-diamine

2-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-2,5-diamine (PubChem CID 106217375) has the molecular formula C7H8F3N3S and a molecular weight of 223.22 g/mol. Its IUPAC name is 2-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-2,5-diamine
PubChem CID106217375
Molecular FormulaC7H8F3N3S
Molecular Weight223.22 g/mol
Exact Mass223.04
IUPAC Name2-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-2,5-diamine
SMILESNc1cnc(NC2(C(F)(F)F)CC2)s1
InChIInChI=1S/C7H8F3N3S/c8-7(9,10)6(1-2-6)13-5-12-3-4(11)14-5/h3H,1-2,11H2,(H,12,13)
InChIKeyCPRBNHZKCXQGLT-UHFFFAOYSA-N
XLogP2.23
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-2,5-diamine (CID 106217375) is 2-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-2,5-diamine is Nc1cnc(NC2(C(F)(F)F)CC2)s1.
What is the InChIKey of 2-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-2,5-diamine?
The InChIKey is CPRBNHZKCXQGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3S/c8-7(9,10)6(1-2-6)13-5-12-3-4(11)14-5/h3H,1-2,11H2,(H,12,13).
What are the key properties of 2-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-2,5-diamine?
2-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-2,5-diamine has a molecular weight of 223.22 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 106217375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).