1-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide

C13H20N4O2S — CID 155946731

IUPAC1-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide
SMILESCC(=O)NC1(C(=O)Nc2nnc(C(C)C)s2)CCCC1
InChIInChI=1S/C13H20N4O2S/c1-8(2)10-16-17-12(20-10)14-11(19)13(15-9(3)18)6-4-5-7-13/h8H,4-7H2,1-3H3,(H,15,18)(H,14,17,19)
InChIKeyDBTLLIZOYYKQOC-UHFFFAOYSA-N
MW296.40 g/mol
LogP2.05
Rot. Bonds4

About 1-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide

1-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide (PubChem CID 155946731) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 1-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide
PubChem CID155946731
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name1-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide
SMILESCC(=O)NC1(C(=O)Nc2nnc(C(C)C)s2)CCCC1
InChIInChI=1S/C13H20N4O2S/c1-8(2)10-16-17-12(20-10)14-11(19)13(15-9(3)18)6-4-5-7-13/h8H,4-7H2,1-3H3,(H,15,18)(H,14,17,19)
InChIKeyDBTLLIZOYYKQOC-UHFFFAOYSA-N
XLogP2.05
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide (CID 155946731) is 1-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide is CC(=O)NC1(C(=O)Nc2nnc(C(C)C)s2)CCCC1.
What is the InChIKey of 1-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide?
The InChIKey is DBTLLIZOYYKQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-8(2)10-16-17-12(20-10)14-11(19)13(15-9(3)18)6-4-5-7-13/h8H,4-7H2,1-3H3,(H,15,18)(H,14,17,19).
What are the key properties of 1-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide?
1-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide has a molecular weight of 296.40 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetamido-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 155946731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).