N-(cyclopropylmethyl)-6-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-azaspiro[3.4]octane-8-carboxamide

C18H25N3O2S — CID 154579548

IUPACN-(cyclopropylmethyl)-6-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-azaspiro[3.4]octane-8-carboxamide
SMILESCc1nc(C)c(C(=O)N2CC(C(=O)NCC3CC3)C3(CCC3)C2)s1
InChIInChI=1S/C18H25N3O2S/c1-11-15(24-12(2)20-11)17(23)21-9-14(18(10-21)6-3-7-18)16(22)19-8-13-4-5-13/h13-14H,3-10H2,1-2H3,(H,19,22)
InChIKeyBDJZCZIYBBGMIM-UHFFFAOYSA-N
MW347.48 g/mol
LogP2.53
Rot. Bonds4

About N-(cyclopropylmethyl)-6-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-azaspiro[3.4]octane-8-carboxamide

N-(cyclopropylmethyl)-6-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-azaspiro[3.4]octane-8-carboxamide (PubChem CID 154579548) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-azaspiro[3.4]octane-8-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-azaspiro[3.4]octane-8-carboxamide
PubChem CID154579548
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC NameN-(cyclopropylmethyl)-6-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-azaspiro[3.4]octane-8-carboxamide
SMILESCc1nc(C)c(C(=O)N2CC(C(=O)NCC3CC3)C3(CCC3)C2)s1
InChIInChI=1S/C18H25N3O2S/c1-11-15(24-12(2)20-11)17(23)21-9-14(18(10-21)6-3-7-18)16(22)19-8-13-4-5-13/h13-14H,3-10H2,1-2H3,(H,19,22)
InChIKeyBDJZCZIYBBGMIM-UHFFFAOYSA-N
XLogP2.53
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-azaspiro[3.4]octane-8-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-6-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-azaspiro[3.4]octane-8-carboxamide (CID 154579548) is N-(cyclopropylmethyl)-6-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-azaspiro[3.4]octane-8-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-6-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-azaspiro[3.4]octane-8-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-6-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-azaspiro[3.4]octane-8-carboxamide is Cc1nc(C)c(C(=O)N2CC(C(=O)NCC3CC3)C3(CCC3)C2)s1.
What is the InChIKey of N-(cyclopropylmethyl)-6-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-azaspiro[3.4]octane-8-carboxamide?
The InChIKey is BDJZCZIYBBGMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-11-15(24-12(2)20-11)17(23)21-9-14(18(10-21)6-3-7-18)16(22)19-8-13-4-5-13/h13-14H,3-10H2,1-2H3,(H,19,22).
What are the key properties of N-(cyclopropylmethyl)-6-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-azaspiro[3.4]octane-8-carboxamide?
N-(cyclopropylmethyl)-6-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-azaspiro[3.4]octane-8-carboxamide has a molecular weight of 347.48 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-6-azaspiro[3.4]octane-8-carboxamide is sourced from PubChem (CID 154579548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).