2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide

C11H19N5O2S2 — CID 2501527

IUPAC2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)CSc1nnc(NC(C)C)s1
InChIInChI=1S/C11H19N5O2S2/c1-6(2)12-9(18)14-8(17)5-19-11-16-15-10(20-11)13-7(3)4/h6-7H,5H2,1-4H3,(H,13,15)(H2,12,14,17,18)
InChIKeyFCVBEZUXHDQNJU-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.68
Rot. Bonds6

About 2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide

2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide (PubChem CID 2501527) has the molecular formula C11H19N5O2S2 and a molecular weight of 317.44 g/mol. Its IUPAC name is 2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
PubChem CID2501527
Molecular FormulaC11H19N5O2S2
Molecular Weight317.44 g/mol
Exact Mass317.10
IUPAC Name2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)CSc1nnc(NC(C)C)s1
InChIInChI=1S/C11H19N5O2S2/c1-6(2)12-9(18)14-8(17)5-19-11-16-15-10(20-11)13-7(3)4/h6-7H,5H2,1-4H3,(H,13,15)(H2,12,14,17,18)
InChIKeyFCVBEZUXHDQNJU-UHFFFAOYSA-N
XLogP1.68
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide?
The IUPAC name of 2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide (CID 2501527) is 2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide?
The canonical SMILES for 2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide is CC(C)NC(=O)NC(=O)CSc1nnc(NC(C)C)s1.
What is the InChIKey of 2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide?
The InChIKey is FCVBEZUXHDQNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S2/c1-6(2)12-9(18)14-8(17)5-19-11-16-15-10(20-11)13-7(3)4/h6-7H,5H2,1-4H3,(H,13,15)(H2,12,14,17,18).
What are the key properties of 2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide?
2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide has a molecular weight of 317.44 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(propan-2-ylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 2501527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).