1,4-dimethyl-9-(thiadiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one

C13H19N5O2S — CID 97398682

IUPAC1,4-dimethyl-9-(thiadiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCN1CCN(C)C2(CCN(C(=O)c3csnn3)CC2)C1=O
InChIInChI=1S/C13H19N5O2S/c1-16-7-8-17(2)13(12(16)20)3-5-18(6-4-13)11(19)10-9-21-15-14-10/h9H,3-8H2,1-2H3
InChIKeyHHJWMHGFIGMSFO-UHFFFAOYSA-N
MW309.39 g/mol
LogP-0.08
Rot. Bonds1

About 1,4-dimethyl-9-(thiadiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one

1,4-dimethyl-9-(thiadiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 97398682) has the molecular formula C13H19N5O2S and a molecular weight of 309.39 g/mol. Its IUPAC name is 1,4-dimethyl-9-(thiadiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name1,4-dimethyl-9-(thiadiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID97398682
Molecular FormulaC13H19N5O2S
Molecular Weight309.39 g/mol
Exact Mass309.13
IUPAC Name1,4-dimethyl-9-(thiadiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCN1CCN(C)C2(CCN(C(=O)c3csnn3)CC2)C1=O
InChIInChI=1S/C13H19N5O2S/c1-16-7-8-17(2)13(12(16)20)3-5-18(6-4-13)11(19)10-9-21-15-14-10/h9H,3-8H2,1-2H3
InChIKeyHHJWMHGFIGMSFO-UHFFFAOYSA-N
XLogP-0.08
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6'-methyl-1-(thiadiazole-4-carbonyl)spiro[piperidine-4,7'-pyrrolo[3,4-b]pyridine]-5'-one
CID 131690880
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(thiadiazol-4-yl)methanone
CID 47325499
4-ethyl-1-(thiadiazole-4-carbonyl)piperidine-4-carboxylic acid
CID 65214766
1-(2-methoxyethyl)-8-(thiadiazole-4-carbonyl)-1,8-diazaspiro[4.5]decan-2-one
CID 131684521
(4-propan-2-ylpiperazin-1-yl)-(thiadiazol-4-yl)methanone
CID 166703611
2,2-dimethyl-1-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]propan-1-one
CID 154781945
(4-chloropiperidin-1-yl)-(thiadiazol-4-yl)methanone
CID 65216412
[4-(2-hydroxyethyl)piperazin-1-yl]-(thiadiazol-4-yl)methanone
CID 61067356
13-acetyl-3-ethyl-9-(thiadiazole-4-carbonyl)-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 131687553
N'-hydroxy-2-[4-(thiadiazole-4-carbonyl)piperazin-1-yl]butanimidamide
CID 77060589
1,4-diazepan-1-yl(thiadiazol-4-yl)methanone
CID 65214276
2-methyl-N-[8-(thiadiazole-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide
CID 131686661

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-9-(thiadiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 1,4-dimethyl-9-(thiadiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one (CID 97398682) is 1,4-dimethyl-9-(thiadiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 1,4-dimethyl-9-(thiadiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 1,4-dimethyl-9-(thiadiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one is CN1CCN(C)C2(CCN(C(=O)c3csnn3)CC2)C1=O.
What is the InChIKey of 1,4-dimethyl-9-(thiadiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is HHJWMHGFIGMSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-16-7-8-17(2)13(12(16)20)3-5-18(6-4-13)11(19)10-9-21-15-14-10/h9H,3-8H2,1-2H3.
What are the key properties of 1,4-dimethyl-9-(thiadiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one?
1,4-dimethyl-9-(thiadiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 309.39 g/mol, XLogP of -0.08, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-9-(thiadiazole-4-carbonyl)-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 97398682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).