5-(2,2-dimethylpropyl)-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine

C12H19F3N2S — CID 106219327

IUPAC5-(2,2-dimethylpropyl)-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)(C)CC1CN=C(NC2(C(F)(F)F)CC2)S1
InChIInChI=1S/C12H19F3N2S/c1-10(2,3)6-8-7-16-9(18-8)17-11(4-5-11)12(13,14)15/h8H,4-7H2,1-3H3,(H,16,17)
InChIKeyDJGKDOJCFBKSIH-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.58
Rot. Bonds2

About 5-(2,2-dimethylpropyl)-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine

5-(2,2-dimethylpropyl)-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106219327) has the molecular formula C12H19F3N2S and a molecular weight of 280.36 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106219327
Molecular FormulaC12H19F3N2S
Molecular Weight280.36 g/mol
Exact Mass280.12
IUPAC Name5-(2,2-dimethylpropyl)-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)(C)CC1CN=C(NC2(C(F)(F)F)CC2)S1
InChIInChI=1S/C12H19F3N2S/c1-10(2,3)6-8-7-16-9(18-8)17-11(4-5-11)12(13,14)15/h8H,4-7H2,1-3H3,(H,16,17)
InChIKeyDJGKDOJCFBKSIH-UHFFFAOYSA-N
XLogP3.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,2-dimethylpropyl)-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943219
5-cyclopropyl-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943239
5-(2-methylpropyl)-N-(4,4,4-trifluorobutan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 105943240
5-ethyl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106219330
5-propan-2-yl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106219334
5-cyclopropyl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106219339
5-propyl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106219341
5-(2-methylpropyl)-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106219342
4-(2-methylpropyl)-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106219343
N-[1-(trifluoromethyl)cyclopropyl]-2-thia-4-azaspiro[5.5]undec-3-en-3-amine
CID 106219345
5-pentan-3-yl-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 106286007
5-(2,2-dimethylpropyl)-N-(2,2,3,3-tetrafluoropropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106294893

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 5-(2,2-dimethylpropyl)-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 106219327) is 5-(2,2-dimethylpropyl)-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2,2-dimethylpropyl)-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine is CC(C)(C)CC1CN=C(NC2(C(F)(F)F)CC2)S1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is DJGKDOJCFBKSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2S/c1-10(2,3)6-8-7-16-9(18-8)17-11(4-5-11)12(13,14)15/h8H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 5-(2,2-dimethylpropyl)-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine?
5-(2,2-dimethylpropyl)-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 280.36 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-N-[1-(trifluoromethyl)cyclopropyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106219327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).