N-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

C25H28N4O5S — CID 23770783

IUPACN-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCC1(C)C(C(=O)N2CCC(c3nc(C(=O)Nc4ccc5[nH]c(=O)oc(=O)c5c4)cs3)CC2)C1(C)C
InChIInChI=1S/C25H28N4O5S/c1-24(2)18(25(24,3)4)21(31)29-9-7-13(8-10-29)20-27-17(12-35-20)19(30)26-14-5-6-16-15(11-14)22(32)34-23(33)28-16/h5-6,11-13,18H,7-10H2,1-4H3,(H,26,30)(H,28,33)
InChIKeyIMIRZCFLAVZMLE-UHFFFAOYSA-N
MW496.59 g/mol
LogP3.58
Rot. Bonds4

About N-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

N-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 23770783) has the molecular formula C25H28N4O5S and a molecular weight of 496.59 g/mol. Its IUPAC name is N-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID23770783
Molecular FormulaC25H28N4O5S
Molecular Weight496.59 g/mol
Exact Mass496.18
IUPAC NameN-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCC1(C)C(C(=O)N2CCC(c3nc(C(=O)Nc4ccc5[nH]c(=O)oc(=O)c5c4)cs3)CC2)C1(C)C
InChIInChI=1S/C25H28N4O5S/c1-24(2)18(25(24,3)4)21(31)29-9-7-13(8-10-29)20-27-17(12-35-20)19(30)26-14-5-6-16-15(11-14)22(32)34-23(33)28-16/h5-6,11-13,18H,7-10H2,1-4H3,(H,26,30)(H,28,33)
InChIKeyIMIRZCFLAVZMLE-UHFFFAOYSA-N
XLogP3.58
TPSA125.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,3-dihydro-1H-inden-5-yl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3864446
N-(2-methyl-1,3-benzothiazol-5-yl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3833664
N'-(pyridine-2-carbonyl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide
CID 3610090
N'-(pyridine-4-carbonyl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide
CID 3248199
4-[4-(1H-indazol-5-ylcarbamoyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
CID 118250045
N'-(2-chlorobenzoyl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide
CID 3586423
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-[1-[(E)-7-(trifluoromethyl)dec-7-enoyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 162600336
N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
CID 167921664
N-(2-morpholin-4-ylphenyl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3283646
N'-[2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]-2,1,3-benzoxadiazole-5-carbohydrazide
CID 3783062
N'-[2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]thiadiazole-4-carbohydrazide
CID 3579880
4-[4-(2H-benzotriazol-5-ylcarbamoyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
CID 118250037

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 23770783) is N-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is CC1(C)C(C(=O)N2CCC(c3nc(C(=O)Nc4ccc5[nH]c(=O)oc(=O)c5c4)cs3)CC2)C1(C)C.
What is the InChIKey of N-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is IMIRZCFLAVZMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5S/c1-24(2)18(25(24,3)4)21(31)29-9-7-13(8-10-29)20-27-17(12-35-20)19(30)26-14-5-6-16-15(11-14)22(32)34-23(33)28-16/h5-6,11-13,18H,7-10H2,1-4H3,(H,26,30)(H,28,33).
What are the key properties of N-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
N-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 496.59 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1H-3,1-benzoxazin-6-yl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 23770783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).