N-cyclopentyloxy-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide

C12H18N2O2S2 — CID 83206503

IUPACN-cyclopentyloxy-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
SMILESCc1nc(CSCC(=O)NOC2CCCC2)cs1
InChIInChI=1S/C12H18N2O2S2/c1-9-13-10(7-18-9)6-17-8-12(15)14-16-11-4-2-3-5-11/h7,11H,2-6,8H2,1H3,(H,14,15)
InChIKeyICUXPGVRGXKERB-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.68
Rot. Bonds6

About N-cyclopentyloxy-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide

N-cyclopentyloxy-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide (PubChem CID 83206503) has the molecular formula C12H18N2O2S2 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-cyclopentyloxy-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyloxy-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
PubChem CID83206503
Molecular FormulaC12H18N2O2S2
Molecular Weight286.42 g/mol
Exact Mass286.08
IUPAC NameN-cyclopentyloxy-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide
SMILESCc1nc(CSCC(=O)NOC2CCCC2)cs1
InChIInChI=1S/C12H18N2O2S2/c1-9-13-10(7-18-9)6-17-8-12(15)14-16-11-4-2-3-5-11/h7,11H,2-6,8H2,1H3,(H,14,15)
InChIKeyICUXPGVRGXKERB-UHFFFAOYSA-N
XLogP2.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
The IUPAC name of N-cyclopentyloxy-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide (CID 83206503) is N-cyclopentyloxy-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyloxy-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
The canonical SMILES for N-cyclopentyloxy-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide is Cc1nc(CSCC(=O)NOC2CCCC2)cs1.
What is the InChIKey of N-cyclopentyloxy-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
The InChIKey is ICUXPGVRGXKERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S2/c1-9-13-10(7-18-9)6-17-8-12(15)14-16-11-4-2-3-5-11/h7,11H,2-6,8H2,1H3,(H,14,15).
What are the key properties of N-cyclopentyloxy-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide?
N-cyclopentyloxy-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide has a molecular weight of 286.42 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetamide is sourced from PubChem (CID 83206503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).