N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]cyclobutanecarboxamide

C13H20N4OS — CID 171335296

IUPACN-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]cyclobutanecarboxamide
SMILESCc1nnc(N2CCCC(NC(=O)C3CCC3)C2)s1
InChIInChI=1S/C13H20N4OS/c1-9-15-16-13(19-9)17-7-3-6-11(8-17)14-12(18)10-4-2-5-10/h10-11H,2-8H2,1H3,(H,14,18)
InChIKeySKRBNHWGRXDDBM-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.73
Rot. Bonds3

About N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]cyclobutanecarboxamide

N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]cyclobutanecarboxamide (PubChem CID 171335296) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]cyclobutanecarboxamide
PubChem CID171335296
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC NameN-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]cyclobutanecarboxamide
SMILESCc1nnc(N2CCCC(NC(=O)C3CCC3)C2)s1
InChIInChI=1S/C13H20N4OS/c1-9-15-16-13(19-9)17-7-3-6-11(8-17)14-12(18)10-4-2-5-10/h10-11H,2-8H2,1H3,(H,14,18)
InChIKeySKRBNHWGRXDDBM-UHFFFAOYSA-N
XLogP1.73
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 97009426
N-[1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]cyclobutanecarboxamide
CID 171335366
ethyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxylate
CID 65208891
N-[1-(5-methoxypyrimidin-2-yl)piperidin-3-yl]cyclobutanecarboxamide
CID 171335318
(2S,3aS,7aS)-N-cyclopentyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide
CID 97366734
N-cyclohexyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazine-1-carboxamide
CID 108780898
(3S)-N-(4-methylcyclohexyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 92701562
(3R)-N-(4-methylcyclohexyl)-1-(5-pyrrol-1-yl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 92701561
N-[1-(5-methoxy-1,3-benzothiazol-2-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 163346079
1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylic acid
CID 65209414
1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide
CID 154818989
methyl 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine-4-carboxylate
CID 64914175

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]cyclobutanecarboxamide (CID 171335296) is N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]cyclobutanecarboxamide is Cc1nnc(N2CCCC(NC(=O)C3CCC3)C2)s1.
What is the InChIKey of N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]cyclobutanecarboxamide?
The InChIKey is SKRBNHWGRXDDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-9-15-16-13(19-9)17-7-3-6-11(8-17)14-12(18)10-4-2-5-10/h10-11H,2-8H2,1H3,(H,14,18).
What are the key properties of N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]cyclobutanecarboxamide?
N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]cyclobutanecarboxamide has a molecular weight of 280.40 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 171335296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).