[4-(1-adamantyl)piperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone

C20H29N3OS — CID 56907008

IUPAC[4-(1-adamantyl)piperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)s1
InChIInChI=1S/C20H29N3OS/c1-13-18(25-14(2)21-13)19(24)22-3-5-23(6-4-22)20-10-15-7-16(11-20)9-17(8-15)12-20/h15-17H,3-12H2,1-2H3
InChIKeySVILJPCUDMJTHW-UHFFFAOYSA-N
MW359.54 g/mol
LogP3.49
Rot. Bonds2

About [4-(1-adamantyl)piperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone

[4-(1-adamantyl)piperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone (PubChem CID 56907008) has the molecular formula C20H29N3OS and a molecular weight of 359.54 g/mol. Its IUPAC name is [4-(1-adamantyl)piperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(1-adamantyl)piperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
PubChem CID56907008
Molecular FormulaC20H29N3OS
Molecular Weight359.54 g/mol
Exact Mass359.20
IUPAC Name[4-(1-adamantyl)piperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)s1
InChIInChI=1S/C20H29N3OS/c1-13-18(25-14(2)21-13)19(24)22-3-5-23(6-4-22)20-10-15-7-16(11-20)9-17(8-15)12-20/h15-17H,3-12H2,1-2H3
InChIKeySVILJPCUDMJTHW-UHFFFAOYSA-N
XLogP3.49
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.54
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-adamantyl)-2-tert-butyl-4-methyl-1,3-thiazole-5-carboxamide
CID 155565172
N-(1-adamantyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 3372949
4-(2-Cyclohexyl-4-methyl-1,3-thiazole-5-carbonyl)-1-[[3-(trifluoromethyl)cyclohexyl]methyl]piperazin-2-one
CID 162597202
N-(1-adamantyl)-N-ethyl-5-methyl-2-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 166342520
N-(1-adamantylmethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 9505119
N,N,4-trimethyl-2-[[4-(2-propylpentanoyl)piperazin-1-yl]methyl]-1,3-thiazole-5-carboxamide
CID 29699935
2-[[4-(cyclohexanecarbonyl)piperazin-1-yl]methyl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 29700061
2-[[4-(4-butylcyclohexanecarbonyl)piperazin-1-yl]methyl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 29700064
2-[[4-(2-cyclohexylacetyl)piperazin-1-yl]methyl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 29700068
2-[[4-(3-cyclohexylpropanoyl)piperazin-1-yl]methyl]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 29700077
Cyclopentyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 36515172
N-(2-adamantyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47240135

Frequently Asked Questions

What is the IUPAC name of [4-(1-adamantyl)piperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [4-(1-adamantyl)piperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone (CID 56907008) is [4-(1-adamantyl)piperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [4-(1-adamantyl)piperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [4-(1-adamantyl)piperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone is Cc1nc(C)c(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)s1.
What is the InChIKey of [4-(1-adamantyl)piperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
The InChIKey is SVILJPCUDMJTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3OS/c1-13-18(25-14(2)21-13)19(24)22-3-5-23(6-4-22)20-10-15-7-16(11-20)9-17(8-15)12-20/h15-17H,3-12H2,1-2H3.
What are the key properties of [4-(1-adamantyl)piperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone?
[4-(1-adamantyl)piperazin-1-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone has a molecular weight of 359.54 g/mol, XLogP of 3.49, 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]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 56907008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).