N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentanecarboxamide

C9H13N3OS — CID 2470137

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentanecarboxamide
SMILESCc1nnc(NC(=O)C2CCCC2)s1
InChIInChI=1S/C9H13N3OS/c1-6-11-12-9(14-6)10-8(13)7-4-2-3-5-7/h7H,2-5H2,1H3,(H,10,12,13)
InChIKeyXMRKEAHNUHOMFY-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.98
Rot. Bonds2

About N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentanecarboxamide

N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentanecarboxamide (PubChem CID 2470137) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentanecarboxamide
PubChem CID2470137
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentanecarboxamide
SMILESCc1nnc(NC(=O)C2CCCC2)s1
InChIInChI=1S/C9H13N3OS/c1-6-11-12-9(14-6)10-8(13)7-4-2-3-5-7/h7H,2-5H2,1H3,(H,10,12,13)
InChIKeyXMRKEAHNUHOMFY-UHFFFAOYSA-N
XLogP1.98
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentanecarboxamide?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentanecarboxamide (CID 2470137) is N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentanecarboxamide is Cc1nnc(NC(=O)C2CCCC2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentanecarboxamide?
The InChIKey is XMRKEAHNUHOMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-6-11-12-9(14-6)10-8(13)7-4-2-3-5-7/h7H,2-5H2,1H3,(H,10,12,13).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentanecarboxamide?
N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentanecarboxamide has a molecular weight of 211.29 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopentanecarboxamide is sourced from PubChem (CID 2470137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).