2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide

C8H13N3OS2 — CID 7474295

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
SMILESCc1nnc(SCC(=O)NC(C)C)s1
InChIInChI=1S/C8H13N3OS2/c1-5(2)9-7(12)4-13-8-11-10-6(3)14-8/h5H,4H2,1-3H3,(H,9,12)
InChIKeyLKIXKIJBDHPNNI-UHFFFAOYSA-N
MW231.35 g/mol
LogP1.46
Rot. Bonds4

About 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide (PubChem CID 7474295) has the molecular formula C8H13N3OS2 and a molecular weight of 231.35 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
PubChem CID7474295
Molecular FormulaC8H13N3OS2
Molecular Weight231.35 g/mol
Exact Mass231.05
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
SMILESCc1nnc(SCC(=O)NC(C)C)s1
InChIInChI=1S/C8H13N3OS2/c1-5(2)9-7(12)4-13-8-11-10-6(3)14-8/h5H,4H2,1-3H3,(H,9,12)
InChIKeyLKIXKIJBDHPNNI-UHFFFAOYSA-N
XLogP1.46
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 2507288
N-cyclopropyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 2994294
N-cyclohexyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 4817900
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylacetamide
CID 2141536
N-cyclopentyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 895382
N-cyclohexyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 754909
N,N-diethyl-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 1152913
2-[[5-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylacetamide
CID 2513581
N-(2-methylpropyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 8300920
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propylpropanamide
CID 45853810
N-(cyclopropylmethyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 47144884
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 78765258

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide (CID 7474295) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide is Cc1nnc(SCC(=O)NC(C)C)s1.
What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide?
The InChIKey is LKIXKIJBDHPNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS2/c1-5(2)9-7(12)4-13-8-11-10-6(3)14-8/h5H,4H2,1-3H3,(H,9,12).
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide?
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide has a molecular weight of 231.35 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 7474295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).