(2S)-2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide

C16H25N7O2S — CID 124751475

IUPAC(2S)-2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)[C@H](C)N2CCC3(CC2)N=C(N(C)C)NC3=O)s1
InChIInChI=1S/C16H25N7O2S/c1-5-11-20-21-15(26-11)17-12(24)10(2)23-8-6-16(7-9-23)13(25)18-14(19-16)22(3)4/h10H,5-9H2,1-4H3,(H,17,21,24)(H,18,19,25)/t10-/m0/s1
InChIKeyGSNWCADZOFYSHJ-JTQLQIEISA-N
MW379.49 g/mol
LogP0.31
Rot. Bonds4

About (2S)-2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide

(2S)-2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 124751475) has the molecular formula C16H25N7O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is (2S)-2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID124751475
Molecular FormulaC16H25N7O2S
Molecular Weight379.49 g/mol
Exact Mass379.18
IUPAC Name(2S)-2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCc1nnc(NC(=O)[C@H](C)N2CCC3(CC2)N=C(N(C)C)NC3=O)s1
InChIInChI=1S/C16H25N7O2S/c1-5-11-20-21-15(26-11)17-12(24)10(2)23-8-6-16(7-9-23)13(25)18-14(19-16)22(3)4/h10H,5-9H2,1-4H3,(H,17,21,24)(H,18,19,25)/t10-/m0/s1
InChIKeyGSNWCADZOFYSHJ-JTQLQIEISA-N
XLogP0.31
TPSA102.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of (2S)-2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide (CID 124751475) is (2S)-2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for (2S)-2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide is CCc1nnc(NC(=O)[C@H](C)N2CCC3(CC2)N=C(N(C)C)NC3=O)s1.
What is the InChIKey of (2S)-2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is GSNWCADZOFYSHJ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H25N7O2S/c1-5-11-20-21-15(26-11)17-12(24)10(2)23-8-6-16(7-9-23)13(25)18-14(19-16)22(3)4/h10H,5-9H2,1-4H3,(H,17,21,24)(H,18,19,25)/t10-/m0/s1.
What are the key properties of (2S)-2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide?
(2S)-2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 379.49 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(dimethylamino)-4-oxo-1,3,8-triazaspiro[4.5]dec-1-en-8-yl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 124751475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).