N-(1,1-difluoropropan-2-yl)-4-(1,3-thiazol-2-yl)aniline

C12H12F2N2S — CID 102869116

IUPACN-(1,1-difluoropropan-2-yl)-4-(1,3-thiazol-2-yl)aniline
SMILESCC(Nc1ccc(-c2nccs2)cc1)C(F)F
InChIInChI=1S/C12H12F2N2S/c1-8(11(13)14)16-10-4-2-9(3-5-10)12-15-6-7-17-12/h2-8,11,16H,1H3
InChIKeyLMQJCMGEUNVOPG-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.88
Rot. Bonds4

About N-(1,1-difluoropropan-2-yl)-4-(1,3-thiazol-2-yl)aniline

N-(1,1-difluoropropan-2-yl)-4-(1,3-thiazol-2-yl)aniline (PubChem CID 102869116) has the molecular formula C12H12F2N2S and a molecular weight of 254.31 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)-4-(1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)-4-(1,3-thiazol-2-yl)aniline
PubChem CID102869116
Molecular FormulaC12H12F2N2S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC NameN-(1,1-difluoropropan-2-yl)-4-(1,3-thiazol-2-yl)aniline
SMILESCC(Nc1ccc(-c2nccs2)cc1)C(F)F
InChIInChI=1S/C12H12F2N2S/c1-8(11(13)14)16-10-4-2-9(3-5-10)12-15-6-7-17-12/h2-8,11,16H,1H3
InChIKeyLMQJCMGEUNVOPG-UHFFFAOYSA-N
XLogP3.88
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)-4-(1,3-thiazol-2-yl)aniline?
The IUPAC name of N-(1,1-difluoropropan-2-yl)-4-(1,3-thiazol-2-yl)aniline (CID 102869116) is N-(1,1-difluoropropan-2-yl)-4-(1,3-thiazol-2-yl)aniline.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)-4-(1,3-thiazol-2-yl)aniline?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)-4-(1,3-thiazol-2-yl)aniline is CC(Nc1ccc(-c2nccs2)cc1)C(F)F.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)-4-(1,3-thiazol-2-yl)aniline?
The InChIKey is LMQJCMGEUNVOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2S/c1-8(11(13)14)16-10-4-2-9(3-5-10)12-15-6-7-17-12/h2-8,11,16H,1H3.
What are the key properties of N-(1,1-difluoropropan-2-yl)-4-(1,3-thiazol-2-yl)aniline?
N-(1,1-difluoropropan-2-yl)-4-(1,3-thiazol-2-yl)aniline has a molecular weight of 254.31 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropan-2-yl)-4-(1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 102869116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).