N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluoro-3-sulfanylbenzamide

C12H11FN2OS2 — CID 107024984

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluoro-3-sulfanylbenzamide
SMILESCc1nc(NC(=O)c2ccc(F)c(S)c2)sc1C
InChIInChI=1S/C12H11FN2OS2/c1-6-7(2)18-12(14-6)15-11(16)8-3-4-9(13)10(17)5-8/h3-5,17H,1-2H3,(H,14,15,16)
InChIKeyCLJDVATVWZSRET-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.44
Rot. Bonds2

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluoro-3-sulfanylbenzamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluoro-3-sulfanylbenzamide (PubChem CID 107024984) has the molecular formula C12H11FN2OS2 and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluoro-3-sulfanylbenzamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluoro-3-sulfanylbenzamide
PubChem CID107024984
Molecular FormulaC12H11FN2OS2
Molecular Weight282.37 g/mol
Exact Mass282.03
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluoro-3-sulfanylbenzamide
SMILESCc1nc(NC(=O)c2ccc(F)c(S)c2)sc1C
InChIInChI=1S/C12H11FN2OS2/c1-6-7(2)18-12(14-6)15-11(16)8-3-4-9(13)10(17)5-8/h3-5,17H,1-2H3,(H,14,15,16)
InChIKeyCLJDVATVWZSRET-UHFFFAOYSA-N
XLogP3.44
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(6-chloro-1,3-benzothiazol-2-yl)-4-fluoro-3-sulfanylbenzamide
CID 107020053
4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 62185340
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,5-difluorobenzamide
CID 17399738
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(methylamino)benzamide
CID 55046054
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluoro-4-methylbenzamide
CID 79769818
N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methylthiophene-3-carboxamide
CID 17191166
6-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 62061155
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzamide
CID 61471873
4-fluoro-N-(6-methyl-3-pyridinyl)-3-sulfanylbenzamide
CID 107033145
2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-sulfanylbenzamide
CID 107024982
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3-propan-2-yloxybenzamide
CID 6457482
N-(4,5-dimethyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 693380

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluoro-3-sulfanylbenzamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluoro-3-sulfanylbenzamide (CID 107024984) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluoro-3-sulfanylbenzamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluoro-3-sulfanylbenzamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluoro-3-sulfanylbenzamide is Cc1nc(NC(=O)c2ccc(F)c(S)c2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluoro-3-sulfanylbenzamide?
The InChIKey is CLJDVATVWZSRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS2/c1-6-7(2)18-12(14-6)15-11(16)8-3-4-9(13)10(17)5-8/h3-5,17H,1-2H3,(H,14,15,16).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluoro-3-sulfanylbenzamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluoro-3-sulfanylbenzamide has a molecular weight of 282.37 g/mol, XLogP of 3.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluoro-3-sulfanylbenzamide is sourced from PubChem (CID 107024984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).