2-pyrimidin-2-yl-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxamide

C15H16N6O2S — CID 175981278

IUPAC2-pyrimidin-2-yl-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxamide
SMILESNC(=O)C1CN(C(=O)c2cncs2)CC12CN(c1ncccn1)C2
InChIInChI=1S/C15H16N6O2S/c16-12(22)10-5-20(13(23)11-4-17-9-24-11)6-15(10)7-21(8-15)14-18-2-1-3-19-14/h1-4,9-10H,5-8H2,(H2,16,22)
InChIKeyWSUMCVOZBFLNSZ-UHFFFAOYSA-N
MW344.40 g/mol
LogP-0.00
Rot. Bonds3

About 2-pyrimidin-2-yl-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxamide

2-pyrimidin-2-yl-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxamide (PubChem CID 175981278) has the molecular formula C15H16N6O2S and a molecular weight of 344.40 g/mol. Its IUPAC name is 2-pyrimidin-2-yl-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxamide.

Molecular Properties

Compound Name2-pyrimidin-2-yl-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxamide
PubChem CID175981278
Molecular FormulaC15H16N6O2S
Molecular Weight344.40 g/mol
Exact Mass344.11
IUPAC Name2-pyrimidin-2-yl-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxamide
SMILESNC(=O)C1CN(C(=O)c2cncs2)CC12CN(c1ncccn1)C2
InChIInChI=1S/C15H16N6O2S/c16-12(22)10-5-20(13(23)11-4-17-9-24-11)6-15(10)7-21(8-15)14-18-2-1-3-19-14/h1-4,9-10H,5-8H2,(H2,16,22)
InChIKeyWSUMCVOZBFLNSZ-UHFFFAOYSA-N
XLogP-0.00
TPSA105.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-pyrimidin-2-yl-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[Methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(1,3-thiazol-5-yl)methanone
CID 110139371
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-2-ylamino)-1,3-thiazole-5-carboxamide
CID 117080545
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyrimidin-4-ylamino)-1,3-thiazole-5-carboxamide
CID 117080839
Ethyl 2-pyrimidin-2-yl-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylate
CID 170755402
2-Pyrimidin-2-yl-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylic acid
CID 170755727
(5S)-2-pyrimidin-2-yl-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxylic acid
CID 170756185
2-tert-butyl-N-[3-(pyrimidin-2-ylamino)propyl]-1,3-thiazole-5-carboxamide
CID 47925897
2-[(1-Pyrimidin-2-ylpiperidine-4-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 78884556
(3R)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 95813112
(3S)-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 95813113
N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 110252077
N-propyl-2-pyrimidin-2-yl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119530064

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-yl-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxamide?
The IUPAC name of 2-pyrimidin-2-yl-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxamide (CID 175981278) is 2-pyrimidin-2-yl-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxamide.
What is the SMILES notation for 2-pyrimidin-2-yl-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxamide?
The canonical SMILES for 2-pyrimidin-2-yl-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxamide is NC(=O)C1CN(C(=O)c2cncs2)CC12CN(c1ncccn1)C2.
What is the InChIKey of 2-pyrimidin-2-yl-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxamide?
The InChIKey is WSUMCVOZBFLNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2S/c16-12(22)10-5-20(13(23)11-4-17-9-24-11)6-15(10)7-21(8-15)14-18-2-1-3-19-14/h1-4,9-10H,5-8H2,(H2,16,22).
What are the key properties of 2-pyrimidin-2-yl-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxamide?
2-pyrimidin-2-yl-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxamide has a molecular weight of 344.40 g/mol, XLogP of -0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-yl-7-(1,3-thiazole-5-carbonyl)-2,7-diazaspiro[3.4]octane-5-carboxamide is sourced from PubChem (CID 175981278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).