(6S)-1-methyl-4-[2-(methylamino)-1,3-thiazole-4-carbonyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

C15H23N5O2S — CID 97136481

IUPAC(6S)-1-methyl-4-[2-(methylamino)-1,3-thiazole-4-carbonyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCNc1nc(C(=O)N2CCN(C)[C@@]3(CCNC(=O)CC3)C2)cs1
InChIInChI=1S/C15H23N5O2S/c1-16-14-18-11(9-23-14)13(22)20-8-7-19(2)15(10-20)4-3-12(21)17-6-5-15/h9H,3-8,10H2,1-2H3,(H,16,18)(H,17,21)/t15-/m0/s1
InChIKeyMJGFSFJSZHOEIG-HNNXBMFYSA-N
MW337.45 g/mol
LogP0.61
Rot. Bonds2

About (6S)-1-methyl-4-[2-(methylamino)-1,3-thiazole-4-carbonyl]-1,4,10-triazaspiro[5.6]dodecan-9-one

(6S)-1-methyl-4-[2-(methylamino)-1,3-thiazole-4-carbonyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (PubChem CID 97136481) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is (6S)-1-methyl-4-[2-(methylamino)-1,3-thiazole-4-carbonyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name(6S)-1-methyl-4-[2-(methylamino)-1,3-thiazole-4-carbonyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
PubChem CID97136481
Molecular FormulaC15H23N5O2S
Molecular Weight337.45 g/mol
Exact Mass337.16
IUPAC Name(6S)-1-methyl-4-[2-(methylamino)-1,3-thiazole-4-carbonyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
SMILESCNc1nc(C(=O)N2CCN(C)[C@@]3(CCNC(=O)CC3)C2)cs1
InChIInChI=1S/C15H23N5O2S/c1-16-14-18-11(9-23-14)13(22)20-8-7-19(2)15(10-20)4-3-12(21)17-6-5-15/h9H,3-8,10H2,1-2H3,(H,16,18)(H,17,21)/t15-/m0/s1
InChIKeyMJGFSFJSZHOEIG-HNNXBMFYSA-N
XLogP0.61
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6S)-1-methyl-4-[2-(methylamino)-1,3-thiazole-4-carbonyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The IUPAC name of (6S)-1-methyl-4-[2-(methylamino)-1,3-thiazole-4-carbonyl]-1,4,10-triazaspiro[5.6]dodecan-9-one (CID 97136481) is (6S)-1-methyl-4-[2-(methylamino)-1,3-thiazole-4-carbonyl]-1,4,10-triazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for (6S)-1-methyl-4-[2-(methylamino)-1,3-thiazole-4-carbonyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The canonical SMILES for (6S)-1-methyl-4-[2-(methylamino)-1,3-thiazole-4-carbonyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is CNc1nc(C(=O)N2CCN(C)[C@@]3(CCNC(=O)CC3)C2)cs1.
What is the InChIKey of (6S)-1-methyl-4-[2-(methylamino)-1,3-thiazole-4-carbonyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
The InChIKey is MJGFSFJSZHOEIG-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23N5O2S/c1-16-14-18-11(9-23-14)13(22)20-8-7-19(2)15(10-20)4-3-12(21)17-6-5-15/h9H,3-8,10H2,1-2H3,(H,16,18)(H,17,21)/t15-/m0/s1.
What are the key properties of (6S)-1-methyl-4-[2-(methylamino)-1,3-thiazole-4-carbonyl]-1,4,10-triazaspiro[5.6]dodecan-9-one?
(6S)-1-methyl-4-[2-(methylamino)-1,3-thiazole-4-carbonyl]-1,4,10-triazaspiro[5.6]dodecan-9-one has a molecular weight of 337.45 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-methyl-4-[2-(methylamino)-1,3-thiazole-4-carbonyl]-1,4,10-triazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 97136481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).