2-[1-(sulfanylmethyl)cyclopropyl]-N-(1,3-thiazol-5-ylmethyl)acetamide

C10H14N2OS2 — CID 107035938

IUPAC2-[1-(sulfanylmethyl)cyclopropyl]-N-(1,3-thiazol-5-ylmethyl)acetamide
SMILESO=C(CC1(CS)CC1)NCc1cncs1
InChIInChI=1S/C10H14N2OS2/c13-9(3-10(6-14)1-2-10)12-5-8-4-11-7-15-8/h4,7,14H,1-3,5-6H2,(H,12,13)
InChIKeySZOCMRYOZQRHFM-UHFFFAOYSA-N
MW242.37 g/mol
LogP1.86
Rot. Bonds5

About 2-[1-(sulfanylmethyl)cyclopropyl]-N-(1,3-thiazol-5-ylmethyl)acetamide

2-[1-(sulfanylmethyl)cyclopropyl]-N-(1,3-thiazol-5-ylmethyl)acetamide (PubChem CID 107035938) has the molecular formula C10H14N2OS2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 2-[1-(sulfanylmethyl)cyclopropyl]-N-(1,3-thiazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(sulfanylmethyl)cyclopropyl]-N-(1,3-thiazol-5-ylmethyl)acetamide
PubChem CID107035938
Molecular FormulaC10H14N2OS2
Molecular Weight242.37 g/mol
Exact Mass242.05
IUPAC Name2-[1-(sulfanylmethyl)cyclopropyl]-N-(1,3-thiazol-5-ylmethyl)acetamide
SMILESO=C(CC1(CS)CC1)NCc1cncs1
InChIInChI=1S/C10H14N2OS2/c13-9(3-10(6-14)1-2-10)12-5-8-4-11-7-15-8/h4,7,14H,1-3,5-6H2,(H,12,13)
InChIKeySZOCMRYOZQRHFM-UHFFFAOYSA-N
XLogP1.86
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 51.86
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-hydroxy-N-(1,3-thiazol-5-ylmethyl)acetamide
CID 130927920
N-(pyridin-3-ylmethyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107021957
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107027204
N-[(4-propan-2-ylphenyl)methyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107027297
1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclopentane-1-carboxamide
CID 104579075
N-(1,3-thiazol-5-ylmethyl)adamantane-1-carboxamide
CID 68850926
2-propan-2-yloxy-N-(1,3-thiazol-5-ylmethyl)acetamide
CID 104579074
1-cyano-N-(1,3-thiazol-5-ylmethyl)cyclohexane-1-carboxamide
CID 104579035
1-cyclohexyl-3-(1,3-thiazol-5-ylmethyl)urea
CID 104588445
methyl 2-[1-(1,3-thiazol-5-ylmethylsulfinylmethyl)cyclopropyl]acetate
CID 107777752
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107032870
1-amino-N-(1,3-thiazol-5-ylmethyl)isoquinoline-4-carboxamide
CID 106772963

Frequently Asked Questions

What is the IUPAC name of 2-[1-(sulfanylmethyl)cyclopropyl]-N-(1,3-thiazol-5-ylmethyl)acetamide?
The IUPAC name of 2-[1-(sulfanylmethyl)cyclopropyl]-N-(1,3-thiazol-5-ylmethyl)acetamide (CID 107035938) is 2-[1-(sulfanylmethyl)cyclopropyl]-N-(1,3-thiazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(sulfanylmethyl)cyclopropyl]-N-(1,3-thiazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(sulfanylmethyl)cyclopropyl]-N-(1,3-thiazol-5-ylmethyl)acetamide is O=C(CC1(CS)CC1)NCc1cncs1.
What is the InChIKey of 2-[1-(sulfanylmethyl)cyclopropyl]-N-(1,3-thiazol-5-ylmethyl)acetamide?
The InChIKey is SZOCMRYOZQRHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS2/c13-9(3-10(6-14)1-2-10)12-5-8-4-11-7-15-8/h4,7,14H,1-3,5-6H2,(H,12,13).
What are the key properties of 2-[1-(sulfanylmethyl)cyclopropyl]-N-(1,3-thiazol-5-ylmethyl)acetamide?
2-[1-(sulfanylmethyl)cyclopropyl]-N-(1,3-thiazol-5-ylmethyl)acetamide has a molecular weight of 242.37 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(sulfanylmethyl)cyclopropyl]-N-(1,3-thiazol-5-ylmethyl)acetamide is sourced from PubChem (CID 107035938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).