6-methyl-N-(3-oxo-1-thia-4-azaspiro[4.4]nonan-4-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide

C14H16N4O2S2 — CID 11232993

IUPAC6-methyl-N-(3-oxo-1-thia-4-azaspiro[4.4]nonan-4-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)NN1C(=O)CSC12CCCC2
InChIInChI=1S/C14H16N4O2S2/c1-9-11(17-6-7-21-13(17)15-9)12(20)16-18-10(19)8-22-14(18)4-2-3-5-14/h6-7H,2-5,8H2,1H3,(H,16,20)
InChIKeyRCSSDKBKHLDEHJ-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.19
Rot. Bonds2

About 6-methyl-N-(3-oxo-1-thia-4-azaspiro[4.4]nonan-4-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide

6-methyl-N-(3-oxo-1-thia-4-azaspiro[4.4]nonan-4-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide (PubChem CID 11232993) has the molecular formula C14H16N4O2S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 6-methyl-N-(3-oxo-1-thia-4-azaspiro[4.4]nonan-4-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(3-oxo-1-thia-4-azaspiro[4.4]nonan-4-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
PubChem CID11232993
Molecular FormulaC14H16N4O2S2
Molecular Weight336.44 g/mol
Exact Mass336.07
IUPAC Name6-methyl-N-(3-oxo-1-thia-4-azaspiro[4.4]nonan-4-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide
SMILESCc1nc2sccn2c1C(=O)NN1C(=O)CSC12CCCC2
InChIInChI=1S/C14H16N4O2S2/c1-9-11(17-6-7-21-13(17)15-9)12(20)16-18-10(19)8-22-14(18)4-2-3-5-14/h6-7H,2-5,8H2,1H3,(H,16,20)
InChIKeyRCSSDKBKHLDEHJ-UHFFFAOYSA-N
XLogP2.19
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3-oxo-1-thia-4-azaspiro[4.4]nonan-4-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The IUPAC name of 6-methyl-N-(3-oxo-1-thia-4-azaspiro[4.4]nonan-4-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide (CID 11232993) is 6-methyl-N-(3-oxo-1-thia-4-azaspiro[4.4]nonan-4-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide.
What is the SMILES notation for 6-methyl-N-(3-oxo-1-thia-4-azaspiro[4.4]nonan-4-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The canonical SMILES for 6-methyl-N-(3-oxo-1-thia-4-azaspiro[4.4]nonan-4-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide is Cc1nc2sccn2c1C(=O)NN1C(=O)CSC12CCCC2.
What is the InChIKey of 6-methyl-N-(3-oxo-1-thia-4-azaspiro[4.4]nonan-4-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
The InChIKey is RCSSDKBKHLDEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S2/c1-9-11(17-6-7-21-13(17)15-9)12(20)16-18-10(19)8-22-14(18)4-2-3-5-14/h6-7H,2-5,8H2,1H3,(H,16,20).
What are the key properties of 6-methyl-N-(3-oxo-1-thia-4-azaspiro[4.4]nonan-4-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide?
6-methyl-N-(3-oxo-1-thia-4-azaspiro[4.4]nonan-4-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3-oxo-1-thia-4-azaspiro[4.4]nonan-4-yl)imidazo[2,1-b][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 11232993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).