2-chloro-5-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide

C12H11ClN2OS2 — CID 107030816

IUPAC2-chloro-5-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(S)ccc1Cl)c1nccs1
InChIInChI=1S/C12H11ClN2OS2/c1-7(12-14-4-5-18-12)15-11(16)9-6-8(17)2-3-10(9)13/h2-7,17H,1H3,(H,15,16)
InChIKeyNKGBLAQOLRYZAD-UHFFFAOYSA-N
MW298.82 g/mol
LogP3.58
Rot. Bonds3

About 2-chloro-5-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide

2-chloro-5-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide (PubChem CID 107030816) has the molecular formula C12H11ClN2OS2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 2-chloro-5-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
PubChem CID107030816
Molecular FormulaC12H11ClN2OS2
Molecular Weight298.82 g/mol
Exact Mass298.00
IUPAC Name2-chloro-5-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(S)ccc1Cl)c1nccs1
InChIInChI=1S/C12H11ClN2OS2/c1-7(12-14-4-5-18-12)15-11(16)9-6-8(17)2-3-10(9)13/h2-7,17H,1H3,(H,15,16)
InChIKeyNKGBLAQOLRYZAD-UHFFFAOYSA-N
XLogP3.58
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 53.58
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-chloro-N-(1-pyridin-4-ylethyl)-5-sulfanylbenzamide
CID 107022770
3-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 107030826
2-chloro-N-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-5-sulfanylbenzamide
CID 107034319
2,4-dihydroxy-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 113232782
2-amino-4-bromo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 79722891
2,4-dibromo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 103882791
5-chloro-2-(propylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 114923773
5,6-dichloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 63612580
3-hydroxy-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 82828968
2-bromo-5-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 81004513
6-chloro-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-3-carboxamide
CID 63612917
2-bromo-5-iodo-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide
CID 103989737

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-5-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide (CID 107030816) is 2-chloro-5-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-5-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-5-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide is CC(NC(=O)c1cc(S)ccc1Cl)c1nccs1.
What is the InChIKey of 2-chloro-5-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
The InChIKey is NKGBLAQOLRYZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS2/c1-7(12-14-4-5-18-12)15-11(16)9-6-8(17)2-3-10(9)13/h2-7,17H,1H3,(H,15,16).
What are the key properties of 2-chloro-5-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide?
2-chloro-5-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide has a molecular weight of 298.82 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-sulfanyl-N-[1-(1,3-thiazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 107030816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).