2-sulfanyl-N-(1,3-thiazol-2-ylmethyl)benzamide

C11H10N2OS2 — CID 107025613

IUPAC2-sulfanyl-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESO=C(NCc1nccs1)c1ccccc1S
InChIInChI=1S/C11H10N2OS2/c14-11(8-3-1-2-4-9(8)15)13-7-10-12-5-6-16-10/h1-6,15H,7H2,(H,13,14)
InChIKeyUOBIDIBYCRPISQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.36
Rot. Bonds3

About 2-sulfanyl-N-(1,3-thiazol-2-ylmethyl)benzamide

2-sulfanyl-N-(1,3-thiazol-2-ylmethyl)benzamide (PubChem CID 107025613) has the molecular formula C11H10N2OS2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-sulfanyl-N-(1,3-thiazol-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-sulfanyl-N-(1,3-thiazol-2-ylmethyl)benzamide
PubChem CID107025613
Molecular FormulaC11H10N2OS2
Molecular Weight250.35 g/mol
Exact Mass250.02
IUPAC Name2-sulfanyl-N-(1,3-thiazol-2-ylmethyl)benzamide
SMILESO=C(NCc1nccs1)c1ccccc1S
InChIInChI=1S/C11H10N2OS2/c14-11(8-3-1-2-4-9(8)15)13-7-10-12-5-6-16-10/h1-6,15H,7H2,(H,13,14)
InChIKeyUOBIDIBYCRPISQ-UHFFFAOYSA-N
XLogP2.36
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.36
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

2-methoxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 110443918
2-phenyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110442320
2,6-dihydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 113346793
2-amino-4-bromo-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 79723692
2-hydroxy-3-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 103800073
N-(1,3-thiazol-2-ylmethyl)-1H-indole-4-carboxamide
CID 61285056
2-chloro-N-(1,3-thiazol-2-ylmethyl)furan-3-carboxamide
CID 106686593
5-bromo-2-hydroxy-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 103616957
3-amino-N-(1,3-thiazol-2-ylmethyl)pyridine-4-carboxamide
CID 105069243
4-(1,3-thiazol-2-ylmethylcarbamoyl)benzoic acid
CID 54962478
N-(1,2-oxazol-5-ylmethyl)-2-sulfanylbenzamide
CID 106423406
4-hydroxy-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 113341365

Frequently Asked Questions

What is the IUPAC name of 2-sulfanyl-N-(1,3-thiazol-2-ylmethyl)benzamide?
The IUPAC name of 2-sulfanyl-N-(1,3-thiazol-2-ylmethyl)benzamide (CID 107025613) is 2-sulfanyl-N-(1,3-thiazol-2-ylmethyl)benzamide.
What is the SMILES notation for 2-sulfanyl-N-(1,3-thiazol-2-ylmethyl)benzamide?
The canonical SMILES for 2-sulfanyl-N-(1,3-thiazol-2-ylmethyl)benzamide is O=C(NCc1nccs1)c1ccccc1S.
What is the InChIKey of 2-sulfanyl-N-(1,3-thiazol-2-ylmethyl)benzamide?
The InChIKey is UOBIDIBYCRPISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS2/c14-11(8-3-1-2-4-9(8)15)13-7-10-12-5-6-16-10/h1-6,15H,7H2,(H,13,14).
What are the key properties of 2-sulfanyl-N-(1,3-thiazol-2-ylmethyl)benzamide?
2-sulfanyl-N-(1,3-thiazol-2-ylmethyl)benzamide has a molecular weight of 250.35 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanyl-N-(1,3-thiazol-2-ylmethyl)benzamide is sourced from PubChem (CID 107025613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).