2-[1-(sulfanylmethyl)cyclopropyl]-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide

C11H16N2OS2 — CID 107030822

IUPAC2-[1-(sulfanylmethyl)cyclopropyl]-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CC1(CS)CC1)c1nccs1
InChIInChI=1S/C11H16N2OS2/c1-8(10-12-4-5-16-10)13-9(14)6-11(7-15)2-3-11/h4-5,8,15H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyLTGVEDKSMNECJL-UHFFFAOYSA-N
MW256.40 g/mol
LogP2.42
Rot. Bonds5

About 2-[1-(sulfanylmethyl)cyclopropyl]-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide

2-[1-(sulfanylmethyl)cyclopropyl]-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 107030822) has the molecular formula C11H16N2OS2 and a molecular weight of 256.40 g/mol. Its IUPAC name is 2-[1-(sulfanylmethyl)cyclopropyl]-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[1-(sulfanylmethyl)cyclopropyl]-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID107030822
Molecular FormulaC11H16N2OS2
Molecular Weight256.40 g/mol
Exact Mass256.07
IUPAC Name2-[1-(sulfanylmethyl)cyclopropyl]-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
SMILESCC(NC(=O)CC1(CS)CC1)c1nccs1
InChIInChI=1S/C11H16N2OS2/c1-8(10-12-4-5-16-10)13-9(14)6-11(7-15)2-3-11/h4-5,8,15H,2-3,6-7H2,1H3,(H,13,14)
InChIKeyLTGVEDKSMNECJL-UHFFFAOYSA-N
XLogP2.42
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.40
LogP ≤ 52.42
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-(1,3-thiazol-2-yl)ethyl]acetamide
CID 130693463
1-[(1-ethylcyclobutyl)methyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 96535038
2-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 144903789
2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 63613076
methyl 2-oxo-2-[1-(1,3-thiazol-2-yl)ethylamino]acetate
CID 112617326
2-(2,5-dioxoimidazolidin-1-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 77097457
1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 95758195
N-butan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107019490
2-(1-ethylpiperidin-4-yl)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 72845666
2-(3,5-dichlorophenoxy)-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide
CID 71994849
N-(5-methylhexan-2-yl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107030242
(2R)-2-amino-4-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]pentanamide
CID 104903572

Frequently Asked Questions

What is the IUPAC name of 2-[1-(sulfanylmethyl)cyclopropyl]-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-[1-(sulfanylmethyl)cyclopropyl]-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide (CID 107030822) is 2-[1-(sulfanylmethyl)cyclopropyl]-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-[1-(sulfanylmethyl)cyclopropyl]-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-[1-(sulfanylmethyl)cyclopropyl]-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide is CC(NC(=O)CC1(CS)CC1)c1nccs1.
What is the InChIKey of 2-[1-(sulfanylmethyl)cyclopropyl]-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is LTGVEDKSMNECJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS2/c1-8(10-12-4-5-16-10)13-9(14)6-11(7-15)2-3-11/h4-5,8,15H,2-3,6-7H2,1H3,(H,13,14).
What are the key properties of 2-[1-(sulfanylmethyl)cyclopropyl]-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide?
2-[1-(sulfanylmethyl)cyclopropyl]-N-[1-(1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 256.40 g/mol, XLogP of 2.42, 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-(1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 107030822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).