N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

C10H14N2O2S2 — CID 103881094

IUPACN-[1-(hydroxymethyl)cyclopropyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NC1(CO)CC1
InChIInChI=1S/C10H14N2O2S2/c1-6-7(16-9(15)11-6)4-8(14)12-10(5-13)2-3-10/h13H,2-5H2,1H3,(H,11,15)(H,12,14)
InChIKeyPKWYANCJRVYKLS-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.30
Rot. Bonds4

About N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide

N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (PubChem CID 103881094) has the molecular formula C10H14N2O2S2 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopropyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
PubChem CID103881094
Molecular FormulaC10H14N2O2S2
Molecular Weight258.37 g/mol
Exact Mass258.05
IUPAC NameN-[1-(hydroxymethyl)cyclopropyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
SMILESCc1[nH]c(=S)sc1CC(=O)NC1(CO)CC1
InChIInChI=1S/C10H14N2O2S2/c1-6-7(16-9(15)11-6)4-8(14)12-10(5-13)2-3-10/h13H,2-5H2,1H3,(H,11,15)(H,12,14)
InChIKeyPKWYANCJRVYKLS-UHFFFAOYSA-N
XLogP1.30
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.30
H-Bond Donors ≤ 53
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-[1-(hydroxymethyl)cyclopropyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide (CID 103881094) is N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is Cc1[nH]c(=S)sc1CC(=O)NC1(CO)CC1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
The InChIKey is PKWYANCJRVYKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S2/c1-6-7(16-9(15)11-6)4-8(14)12-10(5-13)2-3-10/h13H,2-5H2,1H3,(H,11,15)(H,12,14).
What are the key properties of N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide?
N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide has a molecular weight of 258.37 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopropyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 103881094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).