1-methyl-N-[[(7R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrole-2-carboxamide

C17H23N5O2S — CID 124822074

IUPAC1-methyl-N-[[(7R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrole-2-carboxamide
SMILESCc1nnc(N2CC3(CC[C@H](CNC(=O)c4cccn4C)CO3)C2)s1
InChIInChI=1S/C17H23N5O2S/c1-12-19-20-16(25-12)22-10-17(11-22)6-5-13(9-24-17)8-18-15(23)14-4-3-7-21(14)2/h3-4,7,13H,5-6,8-11H2,1-2H3,(H,18,23)/t13-/m1/s1
InChIKeyZOHKSXNKLQEXLA-CYBMUJFWSA-N
MW361.47 g/mol
LogP1.60
Rot. Bonds4

About 1-methyl-N-[[(7R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrole-2-carboxamide

1-methyl-N-[[(7R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrole-2-carboxamide (PubChem CID 124822074) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 1-methyl-N-[[(7R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[(7R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrole-2-carboxamide
PubChem CID124822074
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name1-methyl-N-[[(7R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrole-2-carboxamide
SMILESCc1nnc(N2CC3(CC[C@H](CNC(=O)c4cccn4C)CO3)C2)s1
InChIInChI=1S/C17H23N5O2S/c1-12-19-20-16(25-12)22-10-17(11-22)6-5-13(9-24-17)8-18-15(23)14-4-3-7-21(14)2/h3-4,7,13H,5-6,8-11H2,1-2H3,(H,18,23)/t13-/m1/s1
InChIKeyZOHKSXNKLQEXLA-CYBMUJFWSA-N
XLogP1.60
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-N-[[(7R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrole-2-carboxamide with MolForge

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Related Compounds

N-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 124816744
1-methyl-N-[[2-[(3-methylthiophen-2-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrole-2-carboxamide
CID 131658003
N-[[2-[(2,5-dimethylpyrazol-3-yl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrrole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155836183
N-[[(3aS,6aS)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 124817532
N-[[(7S)-2-methyl-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyridine-3-carboxamide
CID 124813942
N-(furan-2-ylmethyl)-8-methyl-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 155856119
N-[[(3R,3aR,6aR)-5-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 124812310
N-[[(5S,7S)-2-cyclopentyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 124816768
N-[[(5R,7S)-2-cyclopentyl-6-oxa-2-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 97476595
N-[[2-(cyclopropylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyridine-4-carboxamide
CID 131655434
N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide
CID 64866563
1-methyl-N-[[2-(pyridin-2-ylmethyl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrazole-4-carboxamide
CID 131640403

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[(7R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[[(7R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrole-2-carboxamide (CID 124822074) is 1-methyl-N-[[(7R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[[(7R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[[(7R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrole-2-carboxamide is Cc1nnc(N2CC3(CC[C@H](CNC(=O)c4cccn4C)CO3)C2)s1.
What is the InChIKey of 1-methyl-N-[[(7R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrole-2-carboxamide?
The InChIKey is ZOHKSXNKLQEXLA-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-12-19-20-16(25-12)22-10-17(11-22)6-5-13(9-24-17)8-18-15(23)14-4-3-7-21(14)2/h3-4,7,13H,5-6,8-11H2,1-2H3,(H,18,23)/t13-/m1/s1.
What are the key properties of 1-methyl-N-[[(7R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrole-2-carboxamide?
1-methyl-N-[[(7R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrole-2-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[(7R)-2-(5-methyl-1,3,4-thiadiazol-2-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 124822074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).