N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide

C12H19N3O2S2 — CID 103606091

IUPACN-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide
SMILESCCCNC(=O)CN(C)C(=O)Cc1sc(=S)[nH]c1C
InChIInChI=1S/C12H19N3O2S2/c1-4-5-13-10(16)7-15(3)11(17)6-9-8(2)14-12(18)19-9/h4-7H2,1-3H3,(H,13,16)(H,14,18)
InChIKeyMLENDLMJJBRABA-UHFFFAOYSA-N
MW301.44 g/mol
LogP1.64
Rot. Bonds6

About N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide

N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide (PubChem CID 103606091) has the molecular formula C12H19N3O2S2 and a molecular weight of 301.44 g/mol. Its IUPAC name is N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide
PubChem CID103606091
Molecular FormulaC12H19N3O2S2
Molecular Weight301.44 g/mol
Exact Mass301.09
IUPAC NameN-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide
SMILESCCCNC(=O)CN(C)C(=O)Cc1sc(=S)[nH]c1C
InChIInChI=1S/C12H19N3O2S2/c1-4-5-13-10(16)7-15(3)11(17)6-9-8(2)14-12(18)19-9/h4-7H2,1-3H3,(H,13,16)(H,14,18)
InChIKeyMLENDLMJJBRABA-UHFFFAOYSA-N
XLogP1.64
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-pentylacetamide
CID 47128474
N-[2-[ethyl(propyl)amino]ethyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103719302
N-(2-methylbutan-2-yl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 103606129
N,N-bis(2-ethoxyethyl)-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 107033837
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-prop-2-enyl-N-propylacetamide
CID 107033495
2-(2-aminophenyl)-N-methyl-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 61115422
2-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 43238259
N-[3-[(1R,2R)-2-hydroxycyclohexyl]propyl]-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)acetamide
CID 99636177
N-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 8853304
2-[[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]-(2-methylpropyl)amino]acetic acid
CID 63065230
2-hydroxy-N,2-dimethyl-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 103429649
N-methyl-N-[2-oxo-2-(propylamino)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78914805

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide?
The IUPAC name of N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide (CID 103606091) is N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide.
What is the SMILES notation for N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide?
The canonical SMILES for N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide is CCCNC(=O)CN(C)C(=O)Cc1sc(=S)[nH]c1C.
What is the InChIKey of N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide?
The InChIKey is MLENDLMJJBRABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S2/c1-4-5-13-10(16)7-15(3)11(17)6-9-8(2)14-12(18)19-9/h4-7H2,1-3H3,(H,13,16)(H,14,18).
What are the key properties of N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide?
N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide has a molecular weight of 301.44 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide is sourced from PubChem (CID 103606091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).