5-[1-(3,3-dimethylbutylamino)-2,2,2-trifluoroethyl]-1,3-thiazol-2-amine

C11H18F3N3S — CID 87904375

IUPAC5-[1-(3,3-dimethylbutylamino)-2,2,2-trifluoroethyl]-1,3-thiazol-2-amine
SMILESCC(C)(C)CCNC(c1cnc(N)s1)C(F)(F)F
InChIInChI=1S/C11H18F3N3S/c1-10(2,3)4-5-16-8(11(12,13)14)7-6-17-9(15)18-7/h6,8,16H,4-5H2,1-3H3,(H2,15,17)
InChIKeyPRGPZSDHIXVZDX-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.35
Rot. Bonds4

About 5-[1-(3,3-dimethylbutylamino)-2,2,2-trifluoroethyl]-1,3-thiazol-2-amine

5-[1-(3,3-dimethylbutylamino)-2,2,2-trifluoroethyl]-1,3-thiazol-2-amine (PubChem CID 87904375) has the molecular formula C11H18F3N3S and a molecular weight of 281.35 g/mol. Its IUPAC name is 5-[1-(3,3-dimethylbutylamino)-2,2,2-trifluoroethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[1-(3,3-dimethylbutylamino)-2,2,2-trifluoroethyl]-1,3-thiazol-2-amine
PubChem CID87904375
Molecular FormulaC11H18F3N3S
Molecular Weight281.35 g/mol
Exact Mass281.12
IUPAC Name5-[1-(3,3-dimethylbutylamino)-2,2,2-trifluoroethyl]-1,3-thiazol-2-amine
SMILESCC(C)(C)CCNC(c1cnc(N)s1)C(F)(F)F
InChIInChI=1S/C11H18F3N3S/c1-10(2,3)4-5-16-8(11(12,13)14)7-6-17-9(15)18-7/h6,8,16H,4-5H2,1-3H3,(H2,15,17)
InChIKeyPRGPZSDHIXVZDX-UHFFFAOYSA-N
XLogP3.35
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,3-dimethylbutylamino)-2,2,2-trifluoroethyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[1-(3,3-dimethylbutylamino)-2,2,2-trifluoroethyl]-1,3-thiazol-2-amine (CID 87904375) is 5-[1-(3,3-dimethylbutylamino)-2,2,2-trifluoroethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[1-(3,3-dimethylbutylamino)-2,2,2-trifluoroethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[1-(3,3-dimethylbutylamino)-2,2,2-trifluoroethyl]-1,3-thiazol-2-amine is CC(C)(C)CCNC(c1cnc(N)s1)C(F)(F)F.
What is the InChIKey of 5-[1-(3,3-dimethylbutylamino)-2,2,2-trifluoroethyl]-1,3-thiazol-2-amine?
The InChIKey is PRGPZSDHIXVZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3S/c1-10(2,3)4-5-16-8(11(12,13)14)7-6-17-9(15)18-7/h6,8,16H,4-5H2,1-3H3,(H2,15,17).
What are the key properties of 5-[1-(3,3-dimethylbutylamino)-2,2,2-trifluoroethyl]-1,3-thiazol-2-amine?
5-[1-(3,3-dimethylbutylamino)-2,2,2-trifluoroethyl]-1,3-thiazol-2-amine has a molecular weight of 281.35 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,3-dimethylbutylamino)-2,2,2-trifluoroethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 87904375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).