N-(2-cyclopropyloxolan-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

C13H18N2O2S2 — CID 103865042

IUPACN-(2-cyclopropyloxolan-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NC1CCOC1C1CC1
InChIInChI=1S/C13H18N2O2S2/c1-7-10(19-13(18)14-7)6-11(16)15-9-4-5-17-12(9)8-2-3-8/h8-9,12H,2-6H2,1H3,(H,14,18)(H,15,16)
InChIKeyHCPOCFLRVQLUDE-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.34
Rot. Bonds4

About N-(2-cyclopropyloxolan-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

N-(2-cyclopropyloxolan-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (PubChem CID 103865042) has the molecular formula C13H18N2O2S2 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-(2-cyclopropyloxolan-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyclopropyloxolan-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
PubChem CID103865042
Molecular FormulaC13H18N2O2S2
Molecular Weight298.43 g/mol
Exact Mass298.08
IUPAC NameN-(2-cyclopropyloxolan-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NC1CCOC1C1CC1
InChIInChI=1S/C13H18N2O2S2/c1-7-10(19-13(18)14-7)6-11(16)15-9-4-5-17-12(9)8-2-3-8/h8-9,12H,2-6H2,1H3,(H,14,18)(H,15,16)
InChIKeyHCPOCFLRVQLUDE-UHFFFAOYSA-N
XLogP2.34
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyloxolan-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-(2-cyclopropyloxolan-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (CID 103865042) is N-(2-cyclopropyloxolan-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-(2-cyclopropyloxolan-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-(2-cyclopropyloxolan-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is Cc1[nH]c(=S)sc1CC(=O)NC1CCOC1C1CC1.
What is the InChIKey of N-(2-cyclopropyloxolan-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The InChIKey is HCPOCFLRVQLUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S2/c1-7-10(19-13(18)14-7)6-11(16)15-9-4-5-17-12(9)8-2-3-8/h8-9,12H,2-6H2,1H3,(H,14,18)(H,15,16).
What are the key properties of N-(2-cyclopropyloxolan-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
N-(2-cyclopropyloxolan-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide has a molecular weight of 298.43 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyloxolan-3-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 103865042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).