N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide

C12H17N3OS — CID 655064

IUPACN-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide
SMILESO=C(Nc1nnc(C2CCCC2)s1)C1CCC1
InChIInChI=1S/C12H17N3OS/c16-10(8-6-3-7-8)13-12-15-14-11(17-12)9-4-1-2-5-9/h8-9H,1-7H2,(H,13,15,16)
InChIKeyXJTYILWONAQWEH-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.93
Rot. Bonds3

About N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide

N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide (PubChem CID 655064) has the molecular formula C12H17N3OS and a molecular weight of 251.35 g/mol. Its IUPAC name is N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide
PubChem CID655064
Molecular FormulaC12H17N3OS
Molecular Weight251.35 g/mol
Exact Mass251.11
IUPAC NameN-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide
SMILESO=C(Nc1nnc(C2CCCC2)s1)C1CCC1
InChIInChI=1S/C12H17N3OS/c16-10(8-6-3-7-8)13-12-15-14-11(17-12)9-4-1-2-5-9/h8-9H,1-7H2,(H,13,15,16)
InChIKeyXJTYILWONAQWEH-UHFFFAOYSA-N
XLogP2.93
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentanecarboxamide
CID 2470137
N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 702129
N-(5-isopropyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 847063
2-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)butanamide
CID 741742
3-cyclohexyl-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 889545
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopentanecarboxamide
CID 8750027
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 16322265
3-cyclohexyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 903243
2-cyclopentyl-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2669903
N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide
CID 849151
N-(5-ethyl-1,3,4-thiadiazol-2-yl)cyclopentanecarboxamide
CID 879726
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-cyclohexylpropanamide
CID 890188

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide?
The IUPAC name of N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide (CID 655064) is N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide.
What is the SMILES notation for N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide?
The canonical SMILES for N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide is O=C(Nc1nnc(C2CCCC2)s1)C1CCC1.
What is the InChIKey of N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide?
The InChIKey is XJTYILWONAQWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3OS/c16-10(8-6-3-7-8)13-12-15-14-11(17-12)9-4-1-2-5-9/h8-9H,1-7H2,(H,13,15,16).
What are the key properties of N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide?
N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide has a molecular weight of 251.35 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)cyclobutanecarboxamide is sourced from PubChem (CID 655064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).