N-(5-propyl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide

C9H13N3OS — CID 19029557

IUPACN-(5-propyl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
SMILESCCCc1nnc(NC(=O)C2CC2)s1
InChIInChI=1S/C9H13N3OS/c1-2-3-7-11-12-9(14-7)10-8(13)6-4-5-6/h6H,2-5H2,1H3,(H,10,12,13)
InChIKeyYBPRQURSFPBQPP-UHFFFAOYSA-N
MW211.29 g/mol
LogP1.84
Rot. Bonds4

About N-(5-propyl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide

N-(5-propyl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide (PubChem CID 19029557) has the molecular formula C9H13N3OS and a molecular weight of 211.29 g/mol. Its IUPAC name is N-(5-propyl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(5-propyl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
PubChem CID19029557
Molecular FormulaC9H13N3OS
Molecular Weight211.29 g/mol
Exact Mass211.08
IUPAC NameN-(5-propyl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide
SMILESCCCc1nnc(NC(=O)C2CC2)s1
InChIInChI=1S/C9H13N3OS/c1-2-3-7-11-12-9(14-7)10-8(13)6-4-5-6/h6H,2-5H2,1H3,(H,10,12,13)
InChIKeyYBPRQURSFPBQPP-UHFFFAOYSA-N
XLogP1.84
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-propyl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide?
The IUPAC name of N-(5-propyl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide (CID 19029557) is N-(5-propyl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(5-propyl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(5-propyl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide is CCCc1nnc(NC(=O)C2CC2)s1.
What is the InChIKey of N-(5-propyl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide?
The InChIKey is YBPRQURSFPBQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3OS/c1-2-3-7-11-12-9(14-7)10-8(13)6-4-5-6/h6H,2-5H2,1H3,(H,10,12,13).
What are the key properties of N-(5-propyl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide?
N-(5-propyl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide has a molecular weight of 211.29 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-propyl-1,3,4-thiadiazol-2-yl)cyclopropanecarboxamide is sourced from PubChem (CID 19029557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).