2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-prop-2-enyl-N-propylacetamide

C12H18N2OS2 — CID 107033495

IUPAC2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-prop-2-enyl-N-propylacetamide
SMILESC=CCN(CCC)C(=O)Cc1sc(=S)[nH]c1C
InChIInChI=1S/C12H18N2OS2/c1-4-6-14(7-5-2)11(15)8-10-9(3)13-12(16)17-10/h4H,1,5-8H2,2-3H3,(H,13,16)
InChIKeyMUELMMWMGPBNPJ-UHFFFAOYSA-N
MW270.42 g/mol
LogP3.08
Rot. Bonds6

About 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-prop-2-enyl-N-propylacetamide

2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-prop-2-enyl-N-propylacetamide (PubChem CID 107033495) has the molecular formula C12H18N2OS2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-prop-2-enyl-N-propylacetamide.

Molecular Properties

Compound Name2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-prop-2-enyl-N-propylacetamide
PubChem CID107033495
Molecular FormulaC12H18N2OS2
Molecular Weight270.42 g/mol
Exact Mass270.09
IUPAC Name2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-prop-2-enyl-N-propylacetamide
SMILESC=CCN(CCC)C(=O)Cc1sc(=S)[nH]c1C
InChIInChI=1S/C12H18N2OS2/c1-4-6-14(7-5-2)11(15)8-10-9(3)13-12(16)17-10/h4H,1,5-8H2,2-3H3,(H,13,16)
InChIKeyMUELMMWMGPBNPJ-UHFFFAOYSA-N
XLogP3.08
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-propyl-N-prop-2-ynylacetamide
CID 113226707
ethane;N-prop-2-enyl-N-propylprop-2-enamide
CID 143794226
2,2-dichloro-N-prop-2-enyl-N-propylacetamide
CID 21403948
4-(bromomethyl)-N-prop-2-enyl-N-propylbenzamide
CID 102851967
ethyl 2-[bis(prop-2-enyl)amino]prop-2-enoate
CID 87228347
2,5-dichloro-N-prop-2-enyl-N-propylpyridine-4-carboxamide
CID 114918763
(2S)-2-amino-2-phenyl-N-prop-2-enyl-N-propylacetamide
CID 104898275
5-amino-2,4-dimethyl-N-prop-2-enyl-N-propylbenzamide
CID 102705822
2-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 115775942
2-(2-bromophenyl)-N-ethyl-N-prop-2-enylacetamide
CID 102276029
3-bromo-5-methyl-N,N-bis(prop-2-enyl)benzamide
CID 104851837
2-amino-3,3-dimethyl-N-prop-2-enyl-N-propylbutanamide
CID 112555851

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-prop-2-enyl-N-propylacetamide?
The IUPAC name of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-prop-2-enyl-N-propylacetamide (CID 107033495) is 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-prop-2-enyl-N-propylacetamide.
What is the SMILES notation for 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-prop-2-enyl-N-propylacetamide?
The canonical SMILES for 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-prop-2-enyl-N-propylacetamide is C=CCN(CCC)C(=O)Cc1sc(=S)[nH]c1C.
What is the InChIKey of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-prop-2-enyl-N-propylacetamide?
The InChIKey is MUELMMWMGPBNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS2/c1-4-6-14(7-5-2)11(15)8-10-9(3)13-12(16)17-10/h4H,1,5-8H2,2-3H3,(H,13,16).
What are the key properties of 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-prop-2-enyl-N-propylacetamide?
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-prop-2-enyl-N-propylacetamide has a molecular weight of 270.42 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-prop-2-enyl-N-propylacetamide is sourced from PubChem (CID 107033495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).