2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)ethanone

C16H27N5OS — CID 56751541

IUPAC2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)ethanone
SMILESCc1nc(N)sc1CC(=O)N1CCN(C)C2(CCN(C)CC2)C1
InChIInChI=1S/C16H27N5OS/c1-12-13(23-15(17)18-12)10-14(22)21-9-8-20(3)16(11-21)4-6-19(2)7-5-16/h4-11H2,1-3H3,(H2,17,18)
InChIKeyZJECWGHMJZIRJN-UHFFFAOYSA-N
MW337.49 g/mol
LogP0.81
Rot. Bonds2

About 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)ethanone

2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)ethanone (PubChem CID 56751541) has the molecular formula C16H27N5OS and a molecular weight of 337.49 g/mol. Its IUPAC name is 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)ethanone.

Molecular Properties

Compound Name2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)ethanone
PubChem CID56751541
Molecular FormulaC16H27N5OS
Molecular Weight337.49 g/mol
Exact Mass337.19
IUPAC Name2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)ethanone
SMILESCc1nc(N)sc1CC(=O)N1CCN(C)C2(CCN(C)CC2)C1
InChIInChI=1S/C16H27N5OS/c1-12-13(23-15(17)18-12)10-14(22)21-9-8-20(3)16(11-21)4-6-19(2)7-5-16/h4-11H2,1-3H3,(H2,17,18)
InChIKeyZJECWGHMJZIRJN-UHFFFAOYSA-N
XLogP0.81
TPSA65.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.49
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)ethanone?
The IUPAC name of 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)ethanone (CID 56751541) is 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)ethanone.
What is the SMILES notation for 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)ethanone?
The canonical SMILES for 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)ethanone is Cc1nc(N)sc1CC(=O)N1CCN(C)C2(CCN(C)CC2)C1.
What is the InChIKey of 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)ethanone?
The InChIKey is ZJECWGHMJZIRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5OS/c1-12-13(23-15(17)18-12)10-14(22)21-9-8-20(3)16(11-21)4-6-19(2)7-5-16/h4-11H2,1-3H3,(H2,17,18).
What are the key properties of 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)ethanone?
2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)ethanone has a molecular weight of 337.49 g/mol, XLogP of 0.81, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methyl-1,3-thiazol-5-yl)-1-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)ethanone is sourced from PubChem (CID 56751541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).