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

C12H7F2N3S2 — CID 163214646

IUPACN-(2,4-difluorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
SMILESFc1ccc(Nc2nc(-c3nccs3)cs2)c(F)c1
InChIInChI=1S/C12H7F2N3S2/c13-7-1-2-9(8(14)5-7)16-12-17-10(6-19-12)11-15-3-4-18-11/h1-6H,(H,16,17)
InChIKeyUBWWCDAKPIHOLB-UHFFFAOYSA-N
MW295.34 g/mol
LogP4.29
Rot. Bonds3

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

N-(2,4-difluorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine (PubChem CID 163214646) has the molecular formula C12H7F2N3S2 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
PubChem CID163214646
Molecular FormulaC12H7F2N3S2
Molecular Weight295.34 g/mol
Exact Mass295.00
IUPAC NameN-(2,4-difluorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
SMILESFc1ccc(Nc2nc(-c3nccs3)cs2)c(F)c1
InChIInChI=1S/C12H7F2N3S2/c13-7-1-2-9(8(14)5-7)16-12-17-10(6-19-12)11-15-3-4-18-11/h1-6H,(H,16,17)
InChIKeyUBWWCDAKPIHOLB-UHFFFAOYSA-N
XLogP4.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 163214642
N-(3-methoxyphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 163214674
N-(2,4-difluorophenyl)-4-[3-fluoro-4-(4-methylimidazol-1-yl)phenyl]-1,3-thiazol-2-amine
CID 166635065
4-(1,3-thiazol-2-yl)-N-(5-thiophen-2-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 86076412
methyl 3-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]propanoate
CID 107039927
N-(2,4-difluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306893
3-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]but-3-en-2-ol
CID 123550387
ethyl 2-(2,4-difluoroanilino)-1,3-thiazole-4-carboxylate
CID 112724637
N-[2-[3-[4-[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]phenyl]phenyl]ethyl]-4-[4-[3-[2-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]ethyl]phenyl]phenyl]-1,3-thiazol-2-amine
CID 134241813
N-(4-piperazin-1-ylphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 163214659
4-chloro-N-(2,5-difluorophenyl)-1,3-thiazol-2-amine
CID 83152683
2-bromo-4-(1,3-thiazol-2-yl)-1,3-thiazole
CID 22767721

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2,4-difluorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine (CID 163214646) is N-(2,4-difluorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,4-difluorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,4-difluorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine is Fc1ccc(Nc2nc(-c3nccs3)cs2)c(F)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The InChIKey is UBWWCDAKPIHOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F2N3S2/c13-7-1-2-9(8(14)5-7)16-12-17-10(6-19-12)11-15-3-4-18-11/h1-6H,(H,16,17).
What are the key properties of N-(2,4-difluorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
N-(2,4-difluorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine has a molecular weight of 295.34 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 163214646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).