N-[7-[(5-methyl-1H-pyrazol-3-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]-5-propan-2-ylthiadiazole-4-carboxamide

C19H28N6OS — CID 131682444

IUPACN-[7-[(5-methyl-1H-pyrazol-3-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]-5-propan-2-ylthiadiazole-4-carboxamide
SMILESCc1cc(CN2CCC3(CC2)CC(NC(=O)c2nnsc2C(C)C)C3)n[nH]1
InChIInChI=1S/C19H28N6OS/c1-12(2)17-16(23-24-27-17)18(26)20-15-9-19(10-15)4-6-25(7-5-19)11-14-8-13(3)21-22-14/h8,12,15H,4-7,9-11H2,1-3H3,(H,20,26)(H,21,22)
InChIKeyFRHFCZCCKHRAFL-UHFFFAOYSA-N
MW388.54 g/mol
LogP2.87
Rot. Bonds5

About N-[7-[(5-methyl-1H-pyrazol-3-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]-5-propan-2-ylthiadiazole-4-carboxamide

N-[7-[(5-methyl-1H-pyrazol-3-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]-5-propan-2-ylthiadiazole-4-carboxamide (PubChem CID 131682444) has the molecular formula C19H28N6OS and a molecular weight of 388.54 g/mol. Its IUPAC name is N-[7-[(5-methyl-1H-pyrazol-3-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]-5-propan-2-ylthiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[7-[(5-methyl-1H-pyrazol-3-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]-5-propan-2-ylthiadiazole-4-carboxamide
PubChem CID131682444
Molecular FormulaC19H28N6OS
Molecular Weight388.54 g/mol
Exact Mass388.20
IUPAC NameN-[7-[(5-methyl-1H-pyrazol-3-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]-5-propan-2-ylthiadiazole-4-carboxamide
SMILESCc1cc(CN2CCC3(CC2)CC(NC(=O)c2nnsc2C(C)C)C3)n[nH]1
InChIInChI=1S/C19H28N6OS/c1-12(2)17-16(23-24-27-17)18(26)20-15-9-19(10-15)4-6-25(7-5-19)11-14-8-13(3)21-22-14/h8,12,15H,4-7,9-11H2,1-3H3,(H,20,26)(H,21,22)
InChIKeyFRHFCZCCKHRAFL-UHFFFAOYSA-N
XLogP2.87
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[7-[(5-methyl-1H-pyrazol-3-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]-5-propan-2-ylthiadiazole-4-carboxamide?
The IUPAC name of N-[7-[(5-methyl-1H-pyrazol-3-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]-5-propan-2-ylthiadiazole-4-carboxamide (CID 131682444) is N-[7-[(5-methyl-1H-pyrazol-3-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]-5-propan-2-ylthiadiazole-4-carboxamide.
What is the SMILES notation for N-[7-[(5-methyl-1H-pyrazol-3-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]-5-propan-2-ylthiadiazole-4-carboxamide?
The canonical SMILES for N-[7-[(5-methyl-1H-pyrazol-3-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]-5-propan-2-ylthiadiazole-4-carboxamide is Cc1cc(CN2CCC3(CC2)CC(NC(=O)c2nnsc2C(C)C)C3)n[nH]1.
What is the InChIKey of N-[7-[(5-methyl-1H-pyrazol-3-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]-5-propan-2-ylthiadiazole-4-carboxamide?
The InChIKey is FRHFCZCCKHRAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6OS/c1-12(2)17-16(23-24-27-17)18(26)20-15-9-19(10-15)4-6-25(7-5-19)11-14-8-13(3)21-22-14/h8,12,15H,4-7,9-11H2,1-3H3,(H,20,26)(H,21,22).
What are the key properties of N-[7-[(5-methyl-1H-pyrazol-3-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]-5-propan-2-ylthiadiazole-4-carboxamide?
N-[7-[(5-methyl-1H-pyrazol-3-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]-5-propan-2-ylthiadiazole-4-carboxamide has a molecular weight of 388.54 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(5-methyl-1H-pyrazol-3-yl)methyl]-7-azaspiro[3.5]nonan-2-yl]-5-propan-2-ylthiadiazole-4-carboxamide is sourced from PubChem (CID 131682444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).