4-(3,4-difluorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine

C12H12F2N2S — CID 82106741

IUPAC4-(3,4-difluorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1sc(N)nc1-c1ccc(F)c(F)c1
InChIInChI=1S/C12H12F2N2S/c1-6(2)11-10(16-12(15)17-11)7-3-4-8(13)9(14)5-7/h3-6H,1-2H3,(H2,15,16)
InChIKeyIDDQQDPWFJYJLR-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.79
Rot. Bonds2

About 4-(3,4-difluorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine

4-(3,4-difluorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 82106741) has the molecular formula C12H12F2N2S and a molecular weight of 254.31 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine
PubChem CID82106741
Molecular FormulaC12H12F2N2S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name4-(3,4-difluorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)c1sc(N)nc1-c1ccc(F)c(F)c1
InChIInChI=1S/C12H12F2N2S/c1-6(2)11-10(16-12(15)17-11)7-3-4-8(13)9(14)5-7/h3-6H,1-2H3,(H2,15,16)
InChIKeyIDDQQDPWFJYJLR-UHFFFAOYSA-N
XLogP3.79
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(3,4-difluorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine (CID 82106741) is 4-(3,4-difluorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3,4-difluorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3,4-difluorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine is CC(C)c1sc(N)nc1-c1ccc(F)c(F)c1.
What is the InChIKey of 4-(3,4-difluorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is IDDQQDPWFJYJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2S/c1-6(2)11-10(16-12(15)17-11)7-3-4-8(13)9(14)5-7/h3-6H,1-2H3,(H2,15,16).
What are the key properties of 4-(3,4-difluorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine?
4-(3,4-difluorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 254.31 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-5-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 82106741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).