2-[2-(dimethylamino)ethyl]-9-(2-methyl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one

C17H26N4O2S — CID 131681877

IUPAC2-[2-(dimethylamino)ethyl]-9-(2-methyl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1nc(C(=O)N2CCCC3(CCN(CCN(C)C)C3=O)C2)cs1
InChIInChI=1S/C17H26N4O2S/c1-13-18-14(11-24-13)15(22)21-7-4-5-17(12-21)6-8-20(16(17)23)10-9-19(2)3/h11H,4-10,12H2,1-3H3
InChIKeyHZSXXAOHVBZZFP-UHFFFAOYSA-N
MW350.49 g/mol
LogP1.47
Rot. Bonds4

About 2-[2-(dimethylamino)ethyl]-9-(2-methyl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one

2-[2-(dimethylamino)ethyl]-9-(2-methyl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131681877) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]-9-(2-methyl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]-9-(2-methyl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131681877
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC Name2-[2-(dimethylamino)ethyl]-9-(2-methyl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1nc(C(=O)N2CCCC3(CCN(CCN(C)C)C3=O)C2)cs1
InChIInChI=1S/C17H26N4O2S/c1-13-18-14(11-24-13)15(22)21-7-4-5-17(12-21)6-8-20(16(17)23)10-9-19(2)3/h11H,4-10,12H2,1-3H3
InChIKeyHZSXXAOHVBZZFP-UHFFFAOYSA-N
XLogP1.47
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-9-(2-methyl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98895841
(5R)-7-(2-methoxyethyl)-2-[2-(methylamino)-1,3-thiazole-4-carbonyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97119877
7-[2-(dimethylamino)acetyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 131661956
(5R)-7-[2-(dimethylamino)acetyl]-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 97451405
9-(pyrazine-2-carbonyl)-2-(2-pyrrolidin-1-ylethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 134076269
9-(6-methylpyridine-2-carbonyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 131651209
(5R)-2-[(6-methyl-2-pyridinyl)methyl]-9-(pyridine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97372107
(5S)-2-(4-ethyl-5-methylthiophene-3-carbonyl)-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97113542
2-[2-(dimethylamino)ethyl]-7-(4-methylbenzoyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 97392951
2-methyl-1-[8-(2-methyl-1,3-thiazole-4-carbonyl)-1,8-diazaspiro[3.5]nonan-1-yl]propan-1-one
CID 131688309
8-(2-methyl-1,3-thiazole-4-carbonyl)-2-pyrimidin-5-yl-2,8-diazaspiro[4.5]decan-1-one
CID 131686788
(5S)-7-(cyclopropylmethyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97153213

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]-9-(2-methyl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-[2-(dimethylamino)ethyl]-9-(2-methyl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one (CID 131681877) is 2-[2-(dimethylamino)ethyl]-9-(2-methyl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]-9-(2-methyl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]-9-(2-methyl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one is Cc1nc(C(=O)N2CCCC3(CCN(CCN(C)C)C3=O)C2)cs1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]-9-(2-methyl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is HZSXXAOHVBZZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-13-18-14(11-24-13)15(22)21-7-4-5-17(12-21)6-8-20(16(17)23)10-9-19(2)3/h11H,4-10,12H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethyl]-9-(2-methyl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one?
2-[2-(dimethylamino)ethyl]-9-(2-methyl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 350.49 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]-9-(2-methyl-1,3-thiazole-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131681877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).