7-(2-amino-4-methyl-1,3-benzothiazole-6-carbonyl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one

C19H24N4O3S — CID 175645008

IUPAC7-(2-amino-4-methyl-1,3-benzothiazole-6-carbonyl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOCCN1CCC2(CCN(C(=O)c3cc(C)c4nc(N)sc4c3)C2)C1=O
InChIInChI=1S/C19H24N4O3S/c1-12-9-13(10-14-15(12)21-18(20)27-14)16(24)23-6-4-19(11-23)3-5-22(17(19)25)7-8-26-2/h9-10H,3-8,11H2,1-2H3,(H2,20,21)
InChIKeyMTJMWYIMVQSINR-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.90
Rot. Bonds4

About 7-(2-amino-4-methyl-1,3-benzothiazole-6-carbonyl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one

7-(2-amino-4-methyl-1,3-benzothiazole-6-carbonyl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 175645008) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is 7-(2-amino-4-methyl-1,3-benzothiazole-6-carbonyl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name7-(2-amino-4-methyl-1,3-benzothiazole-6-carbonyl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID175645008
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name7-(2-amino-4-methyl-1,3-benzothiazole-6-carbonyl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESCOCCN1CCC2(CCN(C(=O)c3cc(C)c4nc(N)sc4c3)C2)C1=O
InChIInChI=1S/C19H24N4O3S/c1-12-9-13(10-14-15(12)21-18(20)27-14)16(24)23-6-4-19(11-23)3-5-22(17(19)25)7-8-26-2/h9-10H,3-8,11H2,1-2H3,(H2,20,21)
InChIKeyMTJMWYIMVQSINR-UHFFFAOYSA-N
XLogP1.90
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methoxyethyl)-7-[4-(4-methoxyphenoxy)benzoyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 175643015
(2-amino-4-methyl-1,3-benzothiazol-6-yl)-pyrrolidin-1-ylmethanone
CID 28689590
2-(2-amino-4-methylpyrimidine-5-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 119070658
(2-amino-4-methyl-1,3-benzothiazol-6-yl)-(2,9-diazaspiro[4.5]decan-2-yl)methanone
CID 56745221
(5S)-2-(2H-benzotriazole-5-carbonyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97116173
(5S)-2-(2-amino-4-ethyl-1,3-thiazole-5-carbonyl)-7-(3-methoxypropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97189914
7-(2-methoxyethyl)-2-(1-methyl-2-oxopyridine-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72921168
2-(2-methoxyethyl)-7-(1-methyl-3-thiophen-2-ylpyrazole-5-carbonyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175643729
N-[5-[2-(2-methoxyethyl)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carbonyl]-2-methylphenyl]cyclobutanecarboxamide
CID 175640927
2-(2-methoxyethyl)-8-(6-methylpyridine-2-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97370193
2-(2-methoxyethyl)-9-(2-methylpyrazole-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131638498
7-(4-chloro-2-fluorobenzoyl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175642055

Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-4-methyl-1,3-benzothiazole-6-carbonyl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 7-(2-amino-4-methyl-1,3-benzothiazole-6-carbonyl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 175645008) is 7-(2-amino-4-methyl-1,3-benzothiazole-6-carbonyl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 7-(2-amino-4-methyl-1,3-benzothiazole-6-carbonyl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 7-(2-amino-4-methyl-1,3-benzothiazole-6-carbonyl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one is COCCN1CCC2(CCN(C(=O)c3cc(C)c4nc(N)sc4c3)C2)C1=O.
What is the InChIKey of 7-(2-amino-4-methyl-1,3-benzothiazole-6-carbonyl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is MTJMWYIMVQSINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-12-9-13(10-14-15(12)21-18(20)27-14)16(24)23-6-4-19(11-23)3-5-22(17(19)25)7-8-26-2/h9-10H,3-8,11H2,1-2H3,(H2,20,21).
What are the key properties of 7-(2-amino-4-methyl-1,3-benzothiazole-6-carbonyl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one?
7-(2-amino-4-methyl-1,3-benzothiazole-6-carbonyl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 388.49 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-amino-4-methyl-1,3-benzothiazole-6-carbonyl)-2-(2-methoxyethyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 175645008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).