N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide

C17H25N5O3S — CID 122571861

IUPACN-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESCCc1nc(C)c(CNC(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)s1
InChIInChI=1S/C17H25N5O3S/c1-5-13-19-11(2)12(26-13)10-18-15(24)22-8-6-17(7-9-22)14(23)20(3)16(25)21(17)4/h5-10H2,1-4H3,(H,18,24)
InChIKeyPSAFIKSDVHYVBZ-UHFFFAOYSA-N
MW379.49 g/mol
LogP1.58
Rot. Bonds3

About N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide

N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide (PubChem CID 122571861) has the molecular formula C17H25N5O3S and a molecular weight of 379.49 g/mol. Its IUPAC name is N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
PubChem CID122571861
Molecular FormulaC17H25N5O3S
Molecular Weight379.49 g/mol
Exact Mass379.17
IUPAC NameN-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESCCc1nc(C)c(CNC(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)s1
InChIInChI=1S/C17H25N5O3S/c1-5-13-19-11(2)12(26-13)10-18-15(24)22-8-6-17(7-9-22)14(23)20(3)16(25)21(17)4/h5-10H2,1-4H3,(H,18,24)
InChIKeyPSAFIKSDVHYVBZ-UHFFFAOYSA-N
XLogP1.58
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide (CID 122571861) is N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide is CCc1nc(C)c(CNC(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)s1.
What is the InChIKey of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The InChIKey is PSAFIKSDVHYVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3S/c1-5-13-19-11(2)12(26-13)10-18-15(24)22-8-6-17(7-9-22)14(23)20(3)16(25)21(17)4/h5-10H2,1-4H3,(H,18,24).
What are the key properties of N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide has a molecular weight of 379.49 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-4-methyl-1,3-thiazol-5-yl)methyl]-1,3-dimethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 122571861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).