2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

C12H15N5OS2 — CID 6470969

IUPAC2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCn1c(SCC(=O)Nc2nccs2)nnc1C1CC1
InChIInChI=1S/C12H15N5OS2/c1-2-17-10(8-3-4-8)15-16-12(17)20-7-9(18)14-11-13-5-6-19-11/h5-6,8H,2-4,7H2,1H3,(H,13,14,18)
InChIKeyPMIYNYLLDQGURR-UHFFFAOYSA-N
MW309.42 g/mol
LogP2.36
Rot. Bonds6

About 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide

2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 6470969) has the molecular formula C12H15N5OS2 and a molecular weight of 309.42 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID6470969
Molecular FormulaC12H15N5OS2
Molecular Weight309.42 g/mol
Exact Mass309.07
IUPAC Name2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCCn1c(SCC(=O)Nc2nccs2)nnc1C1CC1
InChIInChI=1S/C12H15N5OS2/c1-2-17-10(8-3-4-8)15-16-12(17)20-7-9(18)14-11-13-5-6-19-11/h5-6,8H,2-4,7H2,1H3,(H,13,14,18)
InChIKeyPMIYNYLLDQGURR-UHFFFAOYSA-N
XLogP2.36
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
CID 2994565
2-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)propanamide
CID 6458326
2-((5-Cyclopropyl-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-2-thiazolylacetamide
CID 6466212
2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 6467181
2-[(4,5-diethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 6471089
2-(4-Ethyl-5-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-thiazol-2-yl-acetamide
CID 6501062
2-({4-ethyl-5-[(ethylthio)methyl]-4H-1,2,4-triazol-3-yl}thio)-N-1,3-thiazol-2-ylacetamide
CID 2233239
2-[(5-butyl-4-ethyl-4H-1,2,4-triazol-3-yl)thio]-N-1,3-thiazol-2-ylacetamide
CID 2985038
2-[(5-butyl-4-methyl-4H-1,2,4-triazol-3-yl)thio]-N-1,3-thiazol-2-ylacetamide
CID 2986542
2-{[5-methyl-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
CID 6465140
2-[(4-amino-5-cyclopropyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 24818380
2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 3926225

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 6470969) is 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is CCn1c(SCC(=O)Nc2nccs2)nnc1C1CC1.
What is the InChIKey of 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is PMIYNYLLDQGURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS2/c1-2-17-10(8-3-4-8)15-16-12(17)20-7-9(18)14-11-13-5-6-19-11/h5-6,8H,2-4,7H2,1H3,(H,13,14,18).
What are the key properties of 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 309.42 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 6470969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).