4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-sulfanylbenzamide

C12H11FN2OS2 — CID 107025625

IUPAC4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-sulfanylbenzamide
SMILESCc1nc(CNC(=O)c2ccc(F)c(S)c2)cs1
InChIInChI=1S/C12H11FN2OS2/c1-7-15-9(6-18-7)5-14-12(16)8-2-3-10(13)11(17)4-8/h2-4,6,17H,5H2,1H3,(H,14,16)
InChIKeyYOJQOGHGEBGAJW-UHFFFAOYSA-N
MW282.37 g/mol
LogP2.81
Rot. Bonds3

About 4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-sulfanylbenzamide

4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-sulfanylbenzamide (PubChem CID 107025625) has the molecular formula C12H11FN2OS2 and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-sulfanylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-sulfanylbenzamide
PubChem CID107025625
Molecular FormulaC12H11FN2OS2
Molecular Weight282.37 g/mol
Exact Mass282.03
IUPAC Name4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-sulfanylbenzamide
SMILESCc1nc(CNC(=O)c2ccc(F)c(S)c2)cs1
InChIInChI=1S/C12H11FN2OS2/c1-7-15-9(6-18-7)5-14-12(16)8-2-3-10(13)11(17)4-8/h2-4,6,17H,5H2,1H3,(H,14,16)
InChIKeyYOJQOGHGEBGAJW-UHFFFAOYSA-N
XLogP2.81
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 52.81
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

3-amino-4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 61282063
4-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)benzamide
CID 81448578
3-methyl-4-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 55163251
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 113257333
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-6-carboxamide
CID 47290936
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 47044607
3-bromo-4-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47290705
2,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 60778936
6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47230453
6-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 66462162
4-fluoro-N-propyl-3-sulfanylbenzamide
CID 107019371
methyl 2-[2-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methylcarbamoyl]phenoxy]acetate
CID 55866346

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-sulfanylbenzamide?
The IUPAC name of 4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-sulfanylbenzamide (CID 107025625) is 4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-sulfanylbenzamide.
What is the SMILES notation for 4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-sulfanylbenzamide?
The canonical SMILES for 4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-sulfanylbenzamide is Cc1nc(CNC(=O)c2ccc(F)c(S)c2)cs1.
What is the InChIKey of 4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-sulfanylbenzamide?
The InChIKey is YOJQOGHGEBGAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2OS2/c1-7-15-9(6-18-7)5-14-12(16)8-2-3-10(13)11(17)4-8/h2-4,6,17H,5H2,1H3,(H,14,16).
What are the key properties of 4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-sulfanylbenzamide?
4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-sulfanylbenzamide has a molecular weight of 282.37 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-sulfanylbenzamide is sourced from PubChem (CID 107025625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).