N-(2,3-dihydro-1H-inden-5-yl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

C26H33N3O2S — CID 3864446

IUPACN-(2,3-dihydro-1H-inden-5-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)Nc4ccc5c(c4)CCC5)cs3)CC2)C1(C)C
InChIInChI=1S/C26H33N3O2S/c1-25(2)21(26(25,3)4)24(31)29-12-10-17(11-13-29)23-28-20(15-32-23)22(30)27-19-9-8-16-6-5-7-18(16)14-19/h8-9,14-15,17,21H,5-7,10-13H2,1-4H3,(H,27,30)
InChIKeyYGTHHYGBHGJCNP-UHFFFAOYSA-N
MW451.64 g/mol
LogP5.27
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-5-yl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide

N-(2,3-dihydro-1H-inden-5-yl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 3864446) has the molecular formula C26H33N3O2S and a molecular weight of 451.64 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID3864446
Molecular FormulaC26H33N3O2S
Molecular Weight451.64 g/mol
Exact Mass451.23
IUPAC NameN-(2,3-dihydro-1H-inden-5-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)Nc4ccc5c(c4)CCC5)cs3)CC2)C1(C)C
InChIInChI=1S/C26H33N3O2S/c1-25(2)21(26(25,3)4)24(31)29-12-10-17(11-13-29)23-28-20(15-32-23)22(30)27-19-9-8-16-6-5-7-18(16)14-19/h8-9,14-15,17,21H,5-7,10-13H2,1-4H3,(H,27,30)
InChIKeyYGTHHYGBHGJCNP-UHFFFAOYSA-N
XLogP5.27
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.64
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(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
N-(2,3-dihydro-1H-inden-5-yl)-2-[1-(2-prop-2-enylsulfanylpyridine-3-carbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3693688
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
N'-(2-chlorobenzoyl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide
CID 3586423
N'-[2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]thiadiazole-4-carbohydrazide
CID 3579880
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
4-[4-(2H-benzotriazol-5-ylcarbamoyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
CID 118250037
4-[4-(1H-indazol-5-ylcarbamoyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
CID 118250045
[4-[4-(1,3-dihydrobenzo[de]isoquinoline-2-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 5020119

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 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) is N-(2,3-dihydro-1H-inden-5-yl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-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)Nc4ccc5c(c4)CCC5)cs3)CC2)C1(C)C.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is YGTHHYGBHGJCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2S/c1-25(2)21(26(25,3)4)24(31)29-12-10-17(11-13-29)23-28-20(15-32-23)22(30)27-19-9-8-16-6-5-7-18(16)14-19/h8-9,14-15,17,21H,5-7,10-13H2,1-4H3,(H,27,30).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 451.64 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3864446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).