2-cyclopropyl-8-(4-propylthiadiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

C18H26N4O2S — CID 70735763

IUPAC2-cyclopropyl-8-(4-propylthiadiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCCc1nnsc1C(=O)N1CCCC2(CCC(=O)N(C3CC3)C2)C1
InChIInChI=1S/C18H26N4O2S/c1-2-4-14-16(25-20-19-14)17(24)21-10-3-8-18(11-21)9-7-15(23)22(12-18)13-5-6-13/h13H,2-12H2,1H3
InChIKeyJTJYAFCKICFJAG-UHFFFAOYSA-N
MW362.50 g/mol
LogP2.50
Rot. Bonds4

About 2-cyclopropyl-8-(4-propylthiadiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

2-cyclopropyl-8-(4-propylthiadiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70735763) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 2-cyclopropyl-8-(4-propylthiadiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopropyl-8-(4-propylthiadiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70735763
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name2-cyclopropyl-8-(4-propylthiadiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCCc1nnsc1C(=O)N1CCCC2(CCC(=O)N(C3CC3)C2)C1
InChIInChI=1S/C18H26N4O2S/c1-2-4-14-16(25-20-19-14)17(24)21-10-3-8-18(11-21)9-7-15(23)22(12-18)13-5-6-13/h13H,2-12H2,1H3
InChIKeyJTJYAFCKICFJAG-UHFFFAOYSA-N
XLogP2.50
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-8-(4-propylthiadiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopropyl-8-(4-propylthiadiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70735763) is 2-cyclopropyl-8-(4-propylthiadiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopropyl-8-(4-propylthiadiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopropyl-8-(4-propylthiadiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is CCCc1nnsc1C(=O)N1CCCC2(CCC(=O)N(C3CC3)C2)C1.
What is the InChIKey of 2-cyclopropyl-8-(4-propylthiadiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is JTJYAFCKICFJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-2-4-14-16(25-20-19-14)17(24)21-10-3-8-18(11-21)9-7-15(23)22(12-18)13-5-6-13/h13H,2-12H2,1H3.
What are the key properties of 2-cyclopropyl-8-(4-propylthiadiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one?
2-cyclopropyl-8-(4-propylthiadiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 362.50 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-8-(4-propylthiadiazole-5-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70735763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).