N-[[4-(thiadiazol-4-yl)phenyl]methyl]cyclopropanecarboxamide

C13H13N3OS — CID 2739263

IUPACN-[[4-(thiadiazol-4-yl)phenyl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1ccc(-c2csnn2)cc1)C1CC1
InChIInChI=1S/C13H13N3OS/c17-13(11-5-6-11)14-7-9-1-3-10(4-2-9)12-8-18-16-15-12/h1-4,8,11H,5-7H2,(H,14,17)
InChIKeyWLXPXTRYTJBBSQ-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.23
Rot. Bonds4

About N-[[4-(thiadiazol-4-yl)phenyl]methyl]cyclopropanecarboxamide

N-[[4-(thiadiazol-4-yl)phenyl]methyl]cyclopropanecarboxamide (PubChem CID 2739263) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[[4-(thiadiazol-4-yl)phenyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[4-(thiadiazol-4-yl)phenyl]methyl]cyclopropanecarboxamide
PubChem CID2739263
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC NameN-[[4-(thiadiazol-4-yl)phenyl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1ccc(-c2csnn2)cc1)C1CC1
InChIInChI=1S/C13H13N3OS/c17-13(11-5-6-11)14-7-9-1-3-10(4-2-9)12-8-18-16-15-12/h1-4,8,11H,5-7H2,(H,14,17)
InChIKeyWLXPXTRYTJBBSQ-UHFFFAOYSA-N
XLogP2.23
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(thiadiazol-4-yl)phenyl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[4-(thiadiazol-4-yl)phenyl]methyl]cyclopropanecarboxamide (CID 2739263) is N-[[4-(thiadiazol-4-yl)phenyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[4-(thiadiazol-4-yl)phenyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[4-(thiadiazol-4-yl)phenyl]methyl]cyclopropanecarboxamide is O=C(NCc1ccc(-c2csnn2)cc1)C1CC1.
What is the InChIKey of N-[[4-(thiadiazol-4-yl)phenyl]methyl]cyclopropanecarboxamide?
The InChIKey is WLXPXTRYTJBBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c17-13(11-5-6-11)14-7-9-1-3-10(4-2-9)12-8-18-16-15-12/h1-4,8,11H,5-7H2,(H,14,17).
What are the key properties of N-[[4-(thiadiazol-4-yl)phenyl]methyl]cyclopropanecarboxamide?
N-[[4-(thiadiazol-4-yl)phenyl]methyl]cyclopropanecarboxamide has a molecular weight of 259.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(thiadiazol-4-yl)phenyl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 2739263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).