2,3-difluoro-N-(1,3-thiazol-2-ylmethyl)aniline

C10H8F2N2S — CID 63657832

IUPAC2,3-difluoro-N-(1,3-thiazol-2-ylmethyl)aniline
SMILESFc1cccc(NCc2nccs2)c1F
InChIInChI=1S/C10H8F2N2S/c11-7-2-1-3-8(10(7)12)14-6-9-13-4-5-15-9/h1-5,14H,6H2
InChIKeyMDDXGCZPRPCNJI-UHFFFAOYSA-N
MW226.25 g/mol
LogP3.03
Rot. Bonds3

About 2,3-difluoro-N-(1,3-thiazol-2-ylmethyl)aniline

2,3-difluoro-N-(1,3-thiazol-2-ylmethyl)aniline (PubChem CID 63657832) has the molecular formula C10H8F2N2S and a molecular weight of 226.25 g/mol. Its IUPAC name is 2,3-difluoro-N-(1,3-thiazol-2-ylmethyl)aniline.

Molecular Properties

Compound Name2,3-difluoro-N-(1,3-thiazol-2-ylmethyl)aniline
PubChem CID63657832
Molecular FormulaC10H8F2N2S
Molecular Weight226.25 g/mol
Exact Mass226.04
IUPAC Name2,3-difluoro-N-(1,3-thiazol-2-ylmethyl)aniline
SMILESFc1cccc(NCc2nccs2)c1F
InChIInChI=1S/C10H8F2N2S/c11-7-2-1-3-8(10(7)12)14-6-9-13-4-5-15-9/h1-5,14H,6H2
InChIKeyMDDXGCZPRPCNJI-UHFFFAOYSA-N
XLogP3.03
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-N-(1,3-thiazol-2-ylmethyl)benzene-1,3-diamine
CID 63078164
N-(1,3-thiazol-2-ylmethyl)-1H-indazol-7-amine
CID 63657431
3-fluoro-1-N-[2-(1,3-thiazol-2-yl)ethyl]benzene-1,2-diamine
CID 63242054
N-(1,3-thiazol-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 63654995
2-(1,3-thiazol-2-ylmethylamino)benzoic acid
CID 62231705
2,6-dimethyl-N-(1,3-thiazol-2-ylmethyl)aniline
CID 79017119
2-methyl-3-(1,3-thiazol-2-ylmethylamino)benzamide
CID 63656612
4-fluoro-3-(1,3-thiazol-2-ylmethylamino)benzoic acid
CID 63656617
2-amino-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 62056645
2-[(2,3-difluoroanilino)methyl]-3H-thieno[3,2-d]pyrimidin-4-one
CID 135981614
2,3-difluoro-N-(thiophen-3-ylmethyl)aniline
CID 61074644
N-benzyl-2,3-difluoroaniline
CID 21321341

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-(1,3-thiazol-2-ylmethyl)aniline?
The IUPAC name of 2,3-difluoro-N-(1,3-thiazol-2-ylmethyl)aniline (CID 63657832) is 2,3-difluoro-N-(1,3-thiazol-2-ylmethyl)aniline.
What is the SMILES notation for 2,3-difluoro-N-(1,3-thiazol-2-ylmethyl)aniline?
The canonical SMILES for 2,3-difluoro-N-(1,3-thiazol-2-ylmethyl)aniline is Fc1cccc(NCc2nccs2)c1F.
What is the InChIKey of 2,3-difluoro-N-(1,3-thiazol-2-ylmethyl)aniline?
The InChIKey is MDDXGCZPRPCNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2S/c11-7-2-1-3-8(10(7)12)14-6-9-13-4-5-15-9/h1-5,14H,6H2.
What are the key properties of 2,3-difluoro-N-(1,3-thiazol-2-ylmethyl)aniline?
2,3-difluoro-N-(1,3-thiazol-2-ylmethyl)aniline has a molecular weight of 226.25 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-(1,3-thiazol-2-ylmethyl)aniline is sourced from PubChem (CID 63657832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).