[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

C25H34N6O2S — CID 3866782

IUPAC[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)N2CCC(c3nc(C(=O)N4CCN(c5ncccn5)CC4)cs3)CC2)C1(C)C
InChIInChI=1S/C25H34N6O2S/c1-24(2)19(25(24,3)4)22(33)29-10-6-17(7-11-29)20-28-18(16-34-20)21(32)30-12-14-31(15-13-30)23-26-8-5-9-27-23/h5,8-9,16-17,19H,6-7,10-15H2,1-4H3
InChIKeyKVAQWYJAEGTCPO-UHFFFAOYSA-N
MW482.65 g/mol
LogP3.28
Rot. Bonds4

About [4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 3866782) has the molecular formula C25H34N6O2S and a molecular weight of 482.65 g/mol. Its IUPAC name is [4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID3866782
Molecular FormulaC25H34N6O2S
Molecular Weight482.65 g/mol
Exact Mass482.25
IUPAC Name[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)N2CCC(c3nc(C(=O)N4CCN(c5ncccn5)CC4)cs3)CC2)C1(C)C
InChIInChI=1S/C25H34N6O2S/c1-24(2)19(25(24,3)4)22(33)29-10-6-17(7-11-29)20-28-18(16-34-20)21(32)30-12-14-31(15-13-30)23-26-8-5-9-27-23/h5,8-9,16-17,19H,6-7,10-15H2,1-4H3
InChIKeyKVAQWYJAEGTCPO-UHFFFAOYSA-N
XLogP3.28
TPSA82.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.65
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N'-(pyridine-2-carbonyl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide
CID 3610090
[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
[2-[1-(4-pyridin-2-ylpiperazine-1-carbonyl)piperidin-4-yl]-1,3-thiazol-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 3814800
N'-[2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbonyl]thiadiazole-4-carbohydrazide
CID 3579880
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
3-phenyl-1-[4-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]prop-2-yn-1-one
CID 3825039
N-[[amino(pyrazin-2-yl)methylidene]amino]-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3744269
N'-methyl-N'-quinoxalin-2-yl-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carbohydrazide
CID 3541032
[2-(methoxymethyl)-1,3-thiazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 48571475
4-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
CID 66887389
N-(2-morpholin-4-ylphenyl)-2-[1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 3283646

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 3866782) is [4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)N2CCC(c3nc(C(=O)N4CCN(c5ncccn5)CC4)cs3)CC2)C1(C)C.
What is the InChIKey of [4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is KVAQWYJAEGTCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O2S/c1-24(2)19(25(24,3)4)22(33)29-10-6-17(7-11-29)20-28-18(16-34-20)21(32)30-12-14-31(15-13-30)23-26-8-5-9-27-23/h5,8-9,16-17,19H,6-7,10-15H2,1-4H3.
What are the key properties of [4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 482.65 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]piperidin-1-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 3866782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).