(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(6S)-6-[[(6-methyl-2-pyridinyl)amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone

C24H26N4OS — CID 71603189

IUPAC(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(6S)-6-[[(6-methyl-2-pyridinyl)amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone
SMILESCc1cccc(NC[C@@H]2CC3(CC3)CN2C(=O)c2nc(C)sc2-c2ccccc2)n1
InChIInChI=1S/C24H26N4OS/c1-16-7-6-10-20(26-16)25-14-19-13-24(11-12-24)15-28(19)23(29)21-22(30-17(2)27-21)18-8-4-3-5-9-18/h3-10,19H,11-15H2,1-2H3,(H,25,26)/t19-/m0/s1
InChIKeyCDAFKPBJIWUHIE-IBGZPJMESA-N
MW418.57 g/mol
LogP4.93
Rot. Bonds5

About (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(6S)-6-[[(6-methyl-2-pyridinyl)amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone

(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(6S)-6-[[(6-methyl-2-pyridinyl)amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone (PubChem CID 71603189) has the molecular formula C24H26N4OS and a molecular weight of 418.57 g/mol. Its IUPAC name is (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(6S)-6-[[(6-methyl-2-pyridinyl)amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone.

Molecular Properties

Compound Name(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(6S)-6-[[(6-methyl-2-pyridinyl)amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone
PubChem CID71603189
Molecular FormulaC24H26N4OS
Molecular Weight418.57 g/mol
Exact Mass418.18
IUPAC Name(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(6S)-6-[[(6-methyl-2-pyridinyl)amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone
SMILESCc1cccc(NC[C@@H]2CC3(CC3)CN2C(=O)c2nc(C)sc2-c2ccccc2)n1
InChIInChI=1S/C24H26N4OS/c1-16-7-6-10-20(26-16)25-14-19-13-24(11-12-24)15-28(19)23(29)21-22(30-17(2)27-21)18-8-4-3-5-9-18/h3-10,19H,11-15H2,1-2H3,(H,25,26)/t19-/m0/s1
InChIKeyCDAFKPBJIWUHIE-IBGZPJMESA-N
XLogP4.93
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.57
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(6S)-6-[[(6-methyl-2-pyridinyl)amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone?
The IUPAC name of (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(6S)-6-[[(6-methyl-2-pyridinyl)amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone (CID 71603189) is (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(6S)-6-[[(6-methyl-2-pyridinyl)amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone.
What is the SMILES notation for (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(6S)-6-[[(6-methyl-2-pyridinyl)amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone?
The canonical SMILES for (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(6S)-6-[[(6-methyl-2-pyridinyl)amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone is Cc1cccc(NC[C@@H]2CC3(CC3)CN2C(=O)c2nc(C)sc2-c2ccccc2)n1.
What is the InChIKey of (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(6S)-6-[[(6-methyl-2-pyridinyl)amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone?
The InChIKey is CDAFKPBJIWUHIE-IBGZPJMESA-N. The full InChI is InChI=1S/C24H26N4OS/c1-16-7-6-10-20(26-16)25-14-19-13-24(11-12-24)15-28(19)23(29)21-22(30-17(2)27-21)18-8-4-3-5-9-18/h3-10,19H,11-15H2,1-2H3,(H,25,26)/t19-/m0/s1.
What are the key properties of (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(6S)-6-[[(6-methyl-2-pyridinyl)amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone?
(2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(6S)-6-[[(6-methyl-2-pyridinyl)amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone has a molecular weight of 418.57 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-phenyl-1,3-thiazol-4-yl)-[(6S)-6-[[(6-methyl-2-pyridinyl)amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone is sourced from PubChem (CID 71603189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).