N-(1-azaspiro[5.5]undecan-4-yl)-4-methyl-1,3-thiazole-5-carboxamide

C15H23N3OS — CID 43595732

IUPACN-(1-azaspiro[5.5]undecan-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC1CCNC2(CCCCC2)C1
InChIInChI=1S/C15H23N3OS/c1-11-13(20-10-16-11)14(19)18-12-5-8-17-15(9-12)6-3-2-4-7-15/h10,12,17H,2-9H2,1H3,(H,18,19)
InChIKeyPNWCFROBKPQUFE-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.64
Rot. Bonds2

About N-(1-azaspiro[5.5]undecan-4-yl)-4-methyl-1,3-thiazole-5-carboxamide

N-(1-azaspiro[5.5]undecan-4-yl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 43595732) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is N-(1-azaspiro[5.5]undecan-4-yl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-azaspiro[5.5]undecan-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID43595732
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC NameN-(1-azaspiro[5.5]undecan-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NC1CCNC2(CCCCC2)C1
InChIInChI=1S/C15H23N3OS/c1-11-13(20-10-16-11)14(19)18-12-5-8-17-15(9-12)6-3-2-4-7-15/h10,12,17H,2-9H2,1H3,(H,18,19)
InChIKeyPNWCFROBKPQUFE-UHFFFAOYSA-N
XLogP2.64
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Methyl-1,3-thiazol-5-yl)-piperidin-1-ylmethanone
CID 45823033
4-methyl-N-(piperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 43167642
4-methyl-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-5-carboxamide
CID 45823105
N-(1-acetylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47035706
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47208452
2-ethyl-4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 49378352
N-[1-(3-amino-3-oxopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49448741
N-[1-(3-cyanopropyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49448899
4-methyl-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,3-thiazole-5-carboxamide
CID 49448901
N-(1-{[(1-cyano-1-methylethyl)(methyl)carbamoyl]methyl}piperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 49448972
N-[1-(2-cyanoethyl)piperidin-4-yl]-4-methyl-1,3-thiazole-5-carboxamide
CID 49449224
4-methyl-N-(3-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 45823446

Frequently Asked Questions

What is the IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(1-azaspiro[5.5]undecan-4-yl)-4-methyl-1,3-thiazole-5-carboxamide (CID 43595732) is N-(1-azaspiro[5.5]undecan-4-yl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(1-azaspiro[5.5]undecan-4-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(1-azaspiro[5.5]undecan-4-yl)-4-methyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NC1CCNC2(CCCCC2)C1.
What is the InChIKey of N-(1-azaspiro[5.5]undecan-4-yl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is PNWCFROBKPQUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-11-13(20-10-16-11)14(19)18-12-5-8-17-15(9-12)6-3-2-4-7-15/h10,12,17H,2-9H2,1H3,(H,18,19).
What are the key properties of N-(1-azaspiro[5.5]undecan-4-yl)-4-methyl-1,3-thiazole-5-carboxamide?
N-(1-azaspiro[5.5]undecan-4-yl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 293.44 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azaspiro[5.5]undecan-4-yl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 43595732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).