N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-6,6a-dihydro-1aH-cyclopropa[a]indene-1-carboxamide

C18H19N3OS — CID 166281099

IUPACN-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-6,6a-dihydro-1aH-cyclopropa[a]indene-1-carboxamide
SMILESCC1(C(=O)Nc2nnc(C3CCC3)s2)C2Cc3ccccc3C21
InChIInChI=1S/C18H19N3OS/c1-18(13-9-11-5-2-3-8-12(11)14(13)18)16(22)19-17-21-20-15(23-17)10-6-4-7-10/h2-3,5,8,10,13-14H,4,6-7,9H2,1H3,(H,19,21,22)
InChIKeyCAUZUEOCHNBESA-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.72
Rot. Bonds3

About N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-6,6a-dihydro-1aH-cyclopropa[a]indene-1-carboxamide

N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-6,6a-dihydro-1aH-cyclopropa[a]indene-1-carboxamide (PubChem CID 166281099) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-6,6a-dihydro-1aH-cyclopropa[a]indene-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-6,6a-dihydro-1aH-cyclopropa[a]indene-1-carboxamide
PubChem CID166281099
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-6,6a-dihydro-1aH-cyclopropa[a]indene-1-carboxamide
SMILESCC1(C(=O)Nc2nnc(C3CCC3)s2)C2Cc3ccccc3C21
InChIInChI=1S/C18H19N3OS/c1-18(13-9-11-5-2-3-8-12(11)14(13)18)16(22)19-17-21-20-15(23-17)10-6-4-7-10/h2-3,5,8,10,13-14H,4,6-7,9H2,1H3,(H,19,21,22)
InChIKeyCAUZUEOCHNBESA-UHFFFAOYSA-N
XLogP3.72
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-6,6a-dihydro-1aH-cyclopropa[a]indene-1-carboxamide?
The IUPAC name of N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-6,6a-dihydro-1aH-cyclopropa[a]indene-1-carboxamide (CID 166281099) is N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-6,6a-dihydro-1aH-cyclopropa[a]indene-1-carboxamide.
What is the SMILES notation for N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-6,6a-dihydro-1aH-cyclopropa[a]indene-1-carboxamide?
The canonical SMILES for N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-6,6a-dihydro-1aH-cyclopropa[a]indene-1-carboxamide is CC1(C(=O)Nc2nnc(C3CCC3)s2)C2Cc3ccccc3C21.
What is the InChIKey of N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-6,6a-dihydro-1aH-cyclopropa[a]indene-1-carboxamide?
The InChIKey is CAUZUEOCHNBESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-18(13-9-11-5-2-3-8-12(11)14(13)18)16(22)19-17-21-20-15(23-17)10-6-4-7-10/h2-3,5,8,10,13-14H,4,6-7,9H2,1H3,(H,19,21,22).
What are the key properties of N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-6,6a-dihydro-1aH-cyclopropa[a]indene-1-carboxamide?
N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-6,6a-dihydro-1aH-cyclopropa[a]indene-1-carboxamide has a molecular weight of 325.44 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-1-methyl-6,6a-dihydro-1aH-cyclopropa[a]indene-1-carboxamide is sourced from PubChem (CID 166281099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).