1-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]butan-2-amine

C14H15F3N2OS — CID 62646957

IUPAC1-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]butan-2-amine
SMILESCCC(N)Cc1nc(-c2ccc(OC(F)(F)F)cc2)cs1
InChIInChI=1S/C14H15F3N2OS/c1-2-10(18)7-13-19-12(8-21-13)9-3-5-11(6-4-9)20-14(15,16)17/h3-6,8,10H,2,7,18H2,1H3
InChIKeyKVZHYKPKVCCQMF-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.99
Rot. Bonds5

About 1-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]butan-2-amine

1-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]butan-2-amine (PubChem CID 62646957) has the molecular formula C14H15F3N2OS and a molecular weight of 316.35 g/mol. Its IUPAC name is 1-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]butan-2-amine.

Molecular Properties

Compound Name1-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]butan-2-amine
PubChem CID62646957
Molecular FormulaC14H15F3N2OS
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name1-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]butan-2-amine
SMILESCCC(N)Cc1nc(-c2ccc(OC(F)(F)F)cc2)cs1
InChIInChI=1S/C14H15F3N2OS/c1-2-10(18)7-13-19-12(8-21-13)9-3-5-11(6-4-9)20-14(15,16)17/h3-6,8,10H,2,7,18H2,1H3
InChIKeyKVZHYKPKVCCQMF-UHFFFAOYSA-N
XLogP3.99
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]butan-2-amine?
The IUPAC name of 1-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]butan-2-amine (CID 62646957) is 1-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]butan-2-amine.
What is the SMILES notation for 1-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]butan-2-amine?
The canonical SMILES for 1-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]butan-2-amine is CCC(N)Cc1nc(-c2ccc(OC(F)(F)F)cc2)cs1.
What is the InChIKey of 1-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]butan-2-amine?
The InChIKey is KVZHYKPKVCCQMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2OS/c1-2-10(18)7-13-19-12(8-21-13)9-3-5-11(6-4-9)20-14(15,16)17/h3-6,8,10H,2,7,18H2,1H3.
What are the key properties of 1-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]butan-2-amine?
1-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]butan-2-amine has a molecular weight of 316.35 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]butan-2-amine is sourced from PubChem (CID 62646957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).