3-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide

C16H23N5O3S — CID 154745549

IUPAC3-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide
SMILESCc1nc(CC(C)C)c(NC(=O)N2CCC3(C2)NC(=O)N(C)C3=O)s1
InChIInChI=1S/C16H23N5O3S/c1-9(2)7-11-12(25-10(3)17-11)18-14(23)21-6-5-16(8-21)13(22)20(4)15(24)19-16/h9H,5-8H2,1-4H3,(H,18,23)(H,19,24)
InChIKeyMZTHOPMGRWFCQK-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.81
Rot. Bonds3

About 3-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide

3-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide (PubChem CID 154745549) has the molecular formula C16H23N5O3S and a molecular weight of 365.46 g/mol. Its IUPAC name is 3-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide
PubChem CID154745549
Molecular FormulaC16H23N5O3S
Molecular Weight365.46 g/mol
Exact Mass365.15
IUPAC Name3-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide
SMILESCc1nc(CC(C)C)c(NC(=O)N2CCC3(C2)NC(=O)N(C)C3=O)s1
InChIInChI=1S/C16H23N5O3S/c1-9(2)7-11-12(25-10(3)17-11)18-14(23)21-6-5-16(8-21)13(22)20(4)15(24)19-16/h9H,5-8H2,1-4H3,(H,18,23)(H,19,24)
InChIKeyMZTHOPMGRWFCQK-UHFFFAOYSA-N
XLogP1.81
TPSA94.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.81
H-Bond Donors ≤ 52
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 3-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of 3-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide (CID 154745549) is 3-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for 3-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide is Cc1nc(CC(C)C)c(NC(=O)N2CCC3(C2)NC(=O)N(C)C3=O)s1.
What is the InChIKey of 3-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide?
The InChIKey is MZTHOPMGRWFCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3S/c1-9(2)7-11-12(25-10(3)17-11)18-14(23)21-6-5-16(8-21)13(22)20(4)15(24)19-16/h9H,5-8H2,1-4H3,(H,18,23)(H,19,24).
What are the key properties of 3-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide?
3-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide has a molecular weight of 365.46 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-methyl-4-(2-methylpropyl)-1,3-thiazol-5-yl]-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 154745549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).