1-methyl-N-[6-(2-methyl-1,3-thiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]pyrazole-4-carboxamide

C17H21N5O2S — CID 131686198

IUPAC1-methyl-N-[6-(2-methyl-1,3-thiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]pyrazole-4-carboxamide
SMILESCc1nc(C(=O)N2CCC3(CC(NC(=O)c4cnn(C)c4)C3)C2)cs1
InChIInChI=1S/C17H21N5O2S/c1-11-19-14(9-25-11)16(24)22-4-3-17(10-22)5-13(6-17)20-15(23)12-7-18-21(2)8-12/h7-9,13H,3-6,10H2,1-2H3,(H,20,23)
InChIKeyYDKLZNWBLHWASH-UHFFFAOYSA-N
MW359.46 g/mol
LogP1.61
Rot. Bonds3

About 1-methyl-N-[6-(2-methyl-1,3-thiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]pyrazole-4-carboxamide

1-methyl-N-[6-(2-methyl-1,3-thiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]pyrazole-4-carboxamide (PubChem CID 131686198) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is 1-methyl-N-[6-(2-methyl-1,3-thiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[6-(2-methyl-1,3-thiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]pyrazole-4-carboxamide
PubChem CID131686198
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC Name1-methyl-N-[6-(2-methyl-1,3-thiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]pyrazole-4-carboxamide
SMILESCc1nc(C(=O)N2CCC3(CC(NC(=O)c4cnn(C)c4)C3)C2)cs1
InChIInChI=1S/C17H21N5O2S/c1-11-19-14(9-25-11)16(24)22-4-3-17(10-22)5-13(6-17)20-15(23)12-7-18-21(2)8-12/h7-9,13H,3-6,10H2,1-2H3,(H,20,23)
InChIKeyYDKLZNWBLHWASH-UHFFFAOYSA-N
XLogP1.61
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(2-methyl-1,3-thiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98896232
N-[6-(3-hydroxycyclobutanecarbonyl)-6-azaspiro[3.4]octan-2-yl]-1-methylpyrazole-4-carboxamide
CID 131688778
(2-methyl-1,3-thiazol-4-yl)-[2-(pyrimidin-2-ylamino)-7-azaspiro[3.5]nonan-7-yl]methanone
CID 98895991
1-methyl-N-[6-[(3-methylimidazol-4-yl)methyl]-6-azaspiro[3.4]octan-2-yl]pyrazole-4-carboxamide
CID 98895536
N-(2-methoxyethyl)-1'-(2-methyl-1,3-thiazole-4-carbonyl)spiro[5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-a]azepine-7,3'-pyrrolidine]-3-carboxamide;oxalic acid
CID 155870482
(4-hydroxy-4-methylpiperidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 80707453
2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 47445429
2-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 110465347
(3-methylazetidin-1-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 126992843
N-(3-methyl-3-azaspiro[5.5]undecan-9-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 167925289
N-[6-(thiadiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]cyclopropanecarboxamide
CID 131687042
N-[6-(pyrazine-2-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98894476

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[6-(2-methyl-1,3-thiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[6-(2-methyl-1,3-thiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]pyrazole-4-carboxamide (CID 131686198) is 1-methyl-N-[6-(2-methyl-1,3-thiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[6-(2-methyl-1,3-thiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[6-(2-methyl-1,3-thiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]pyrazole-4-carboxamide is Cc1nc(C(=O)N2CCC3(CC(NC(=O)c4cnn(C)c4)C3)C2)cs1.
What is the InChIKey of 1-methyl-N-[6-(2-methyl-1,3-thiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]pyrazole-4-carboxamide?
The InChIKey is YDKLZNWBLHWASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-11-19-14(9-25-11)16(24)22-4-3-17(10-22)5-13(6-17)20-15(23)12-7-18-21(2)8-12/h7-9,13H,3-6,10H2,1-2H3,(H,20,23).
What are the key properties of 1-methyl-N-[6-(2-methyl-1,3-thiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]pyrazole-4-carboxamide?
1-methyl-N-[6-(2-methyl-1,3-thiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]pyrazole-4-carboxamide has a molecular weight of 359.46 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[6-(2-methyl-1,3-thiazole-4-carbonyl)-6-azaspiro[3.4]octan-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 131686198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).