[4-(1-adamantyl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

C19H27N3OS — CID 56888927

IUPAC[4-(1-adamantyl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C19H27N3OS/c1-13-17(24-12-20-13)18(23)21-2-4-22(5-3-21)19-9-14-6-15(10-19)8-16(7-14)11-19/h12,14-16H,2-11H2,1H3
InChIKeyHJDCXXCZQPIHIG-UHFFFAOYSA-N
MW345.51 g/mol
LogP3.18
Rot. Bonds2

About [4-(1-adamantyl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone

[4-(1-adamantyl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 56888927) has the molecular formula C19H27N3OS and a molecular weight of 345.51 g/mol. Its IUPAC name is [4-(1-adamantyl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(1-adamantyl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID56888927
Molecular FormulaC19H27N3OS
Molecular Weight345.51 g/mol
Exact Mass345.19
IUPAC Name[4-(1-adamantyl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
SMILESCc1ncsc1C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1
InChIInChI=1S/C19H27N3OS/c1-13-17(24-12-20-13)18(23)21-2-4-22(5-3-21)19-9-14-6-15(10-19)8-16(7-14)11-19/h12,14-16H,2-11H2,1H3
InChIKeyHJDCXXCZQPIHIG-UHFFFAOYSA-N
XLogP3.18
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.51
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 96573127
N-(1-adamantyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84556529
N-(1-adamantyl)-N-ethyl-5-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 166342520
1-(1-Adamantyl)-4-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]piperazine
CID 56907008
[3-[Ethyl(methyl)amino]-1-azaspiro[4.5]decan-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110130819
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(4-methyl-1,3-thiazol-5-yl)methanone
CID 51080833
N-(1-adamantylmethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 9505119
N-(1-azaspiro[5.5]undecan-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 43595732
(4-Methylpiperidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 45823003
(3-Methylpiperidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 45823020
(3,5-Dimethylpiperidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 45823249
(3-Ethylpiperidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 45823548

Frequently Asked Questions

What is the IUPAC name of [4-(1-adamantyl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [4-(1-adamantyl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone (CID 56888927) is [4-(1-adamantyl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [4-(1-adamantyl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [4-(1-adamantyl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is Cc1ncsc1C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1.
What is the InChIKey of [4-(1-adamantyl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is HJDCXXCZQPIHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3OS/c1-13-17(24-12-20-13)18(23)21-2-4-22(5-3-21)19-9-14-6-15(10-19)8-16(7-14)11-19/h12,14-16H,2-11H2,1H3.
What are the key properties of [4-(1-adamantyl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone?
[4-(1-adamantyl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 345.51 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-adamantyl)piperazin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 56888927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).