N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C18H26N4O3S — CID 47871646

IUPACN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCc1nc(CN(C)C(=O)CN2C(=O)NC3(CCCCC3C)C2=O)cs1
InChIInChI=1S/C18H26N4O3S/c1-4-14-19-13(11-26-14)9-21(3)15(23)10-22-16(24)18(20-17(22)25)8-6-5-7-12(18)2/h11-12H,4-10H2,1-3H3,(H,20,25)
InChIKeyOKTYXOXGMZOJLB-UHFFFAOYSA-N
MW378.50 g/mol
LogP2.16
Rot. Bonds5

About N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 47871646) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID47871646
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC NameN-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCCc1nc(CN(C)C(=O)CN2C(=O)NC3(CCCCC3C)C2=O)cs1
InChIInChI=1S/C18H26N4O3S/c1-4-14-19-13(11-26-14)9-21(3)15(23)10-22-16(24)18(20-17(22)25)8-6-5-7-12(18)2/h11-12H,4-10H2,1-3H3,(H,20,25)
InChIKeyOKTYXOXGMZOJLB-UHFFFAOYSA-N
XLogP2.16
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 52.16
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-1,3-thiazol-4-yl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 47871646) is N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CCc1nc(CN(C)C(=O)CN2C(=O)NC3(CCCCC3C)C2=O)cs1.
What is the InChIKey of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is OKTYXOXGMZOJLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-4-14-19-13(11-26-14)9-21(3)15(23)10-22-16(24)18(20-17(22)25)8-6-5-7-12(18)2/h11-12H,4-10H2,1-3H3,(H,20,25).
What are the key properties of N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 378.50 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 47871646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).