2-cyclobutyl-3,3-dimethyl-N-(1,3,4-thiadiazol-2-yl)butanamide

C12H19N3OS — CID 143855857

IUPAC2-cyclobutyl-3,3-dimethyl-N-(1,3,4-thiadiazol-2-yl)butanamide
SMILESCC(C)(C)C(C(=O)Nc1nncs1)C1CCC1
InChIInChI=1S/C12H19N3OS/c1-12(2,3)9(8-5-4-6-8)10(16)14-11-15-13-7-17-11/h7-9H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyDHVDWVCERRTLGJ-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.94
Rot. Bonds3

About 2-cyclobutyl-3,3-dimethyl-N-(1,3,4-thiadiazol-2-yl)butanamide

2-cyclobutyl-3,3-dimethyl-N-(1,3,4-thiadiazol-2-yl)butanamide (PubChem CID 143855857) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-cyclobutyl-3,3-dimethyl-N-(1,3,4-thiadiazol-2-yl)butanamide.

Molecular Properties

Compound Name2-cyclobutyl-3,3-dimethyl-N-(1,3,4-thiadiazol-2-yl)butanamide
PubChem CID143855857
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-cyclobutyl-3,3-dimethyl-N-(1,3,4-thiadiazol-2-yl)butanamide
SMILESCC(C)(C)C(C(=O)Nc1nncs1)C1CCC1
InChIInChI=1S/C12H19N3OS/c1-12(2,3)9(8-5-4-6-8)10(16)14-11-15-13-7-17-11/h7-9H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyDHVDWVCERRTLGJ-UHFFFAOYSA-N
XLogP2.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-3,3-dimethyl-N-(1,3,4-thiadiazol-2-yl)butanamide?
The IUPAC name of 2-cyclobutyl-3,3-dimethyl-N-(1,3,4-thiadiazol-2-yl)butanamide (CID 143855857) is 2-cyclobutyl-3,3-dimethyl-N-(1,3,4-thiadiazol-2-yl)butanamide.
What is the SMILES notation for 2-cyclobutyl-3,3-dimethyl-N-(1,3,4-thiadiazol-2-yl)butanamide?
The canonical SMILES for 2-cyclobutyl-3,3-dimethyl-N-(1,3,4-thiadiazol-2-yl)butanamide is CC(C)(C)C(C(=O)Nc1nncs1)C1CCC1.
What is the InChIKey of 2-cyclobutyl-3,3-dimethyl-N-(1,3,4-thiadiazol-2-yl)butanamide?
The InChIKey is DHVDWVCERRTLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-12(2,3)9(8-5-4-6-8)10(16)14-11-15-13-7-17-11/h7-9H,4-6H2,1-3H3,(H,14,15,16).
What are the key properties of 2-cyclobutyl-3,3-dimethyl-N-(1,3,4-thiadiazol-2-yl)butanamide?
2-cyclobutyl-3,3-dimethyl-N-(1,3,4-thiadiazol-2-yl)butanamide has a molecular weight of 253.37 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-3,3-dimethyl-N-(1,3,4-thiadiazol-2-yl)butanamide is sourced from PubChem (CID 143855857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).