[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(3-methylthiophen-2-yl)methanone

C18H23N3OS2 — CID 129476463

IUPAC[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCC2(CC1)C[C@@H]2N(C)Cc1nccs1
InChIInChI=1S/C18H23N3OS2/c1-13-3-9-24-16(13)17(22)21-7-4-18(5-8-21)11-14(18)20(2)12-15-19-6-10-23-15/h3,6,9-10,14H,4-5,7-8,11-12H2,1-2H3/t14-/m0/s1
InChIKeyQWUOPEYXHJDNAT-AWEZNQCLSA-N
MW361.54 g/mol
LogP3.64
Rot. Bonds4

About [(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(3-methylthiophen-2-yl)methanone

[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(3-methylthiophen-2-yl)methanone (PubChem CID 129476463) has the molecular formula C18H23N3OS2 and a molecular weight of 361.54 g/mol. Its IUPAC name is [(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(3-methylthiophen-2-yl)methanone
PubChem CID129476463
Molecular FormulaC18H23N3OS2
Molecular Weight361.54 g/mol
Exact Mass361.13
IUPAC Name[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)N1CCC2(CC1)C[C@@H]2N(C)Cc1nccs1
InChIInChI=1S/C18H23N3OS2/c1-13-3-9-24-16(13)17(22)21-7-4-18(5-8-21)11-14(18)20(2)12-15-19-6-10-23-15/h3,6,9-10,14H,4-5,7-8,11-12H2,1-2H3/t14-/m0/s1
InChIKeyQWUOPEYXHJDNAT-AWEZNQCLSA-N
XLogP3.64
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.54
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(3-methylthiophen-2-yl)methanone?
The IUPAC name of [(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(3-methylthiophen-2-yl)methanone (CID 129476463) is [(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for [(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for [(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)N1CCC2(CC1)C[C@@H]2N(C)Cc1nccs1.
What is the InChIKey of [(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(3-methylthiophen-2-yl)methanone?
The InChIKey is QWUOPEYXHJDNAT-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N3OS2/c1-13-3-9-24-16(13)17(22)21-7-4-18(5-8-21)11-14(18)20(2)12-15-19-6-10-23-15/h3,6,9-10,14H,4-5,7-8,11-12H2,1-2H3/t14-/m0/s1.
What are the key properties of [(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(3-methylthiophen-2-yl)methanone?
[(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(3-methylthiophen-2-yl)methanone has a molecular weight of 361.54 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[methyl(1,3-thiazol-2-ylmethyl)amino]-6-azaspiro[2.5]octan-6-yl]-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 129476463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).