N-(2-adamantyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide

C16H22N2OS — CID 47240135

IUPACN-(2-adamantyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(C)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H22N2OS/c1-9-15(20-8-17-9)16(19)18(2)14-12-4-10-3-11(6-12)7-13(14)5-10/h8,10-14H,3-7H2,1-2H3
InChIKeyRUEJCORMMNOHBU-UHFFFAOYSA-N
MW290.43 g/mol
LogP3.35
Rot. Bonds2

About N-(2-adamantyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide

N-(2-adamantyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 47240135) has the molecular formula C16H22N2OS and a molecular weight of 290.43 g/mol. Its IUPAC name is N-(2-adamantyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-adamantyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID47240135
Molecular FormulaC16H22N2OS
Molecular Weight290.43 g/mol
Exact Mass290.15
IUPAC NameN-(2-adamantyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)N(C)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H22N2OS/c1-9-15(20-8-17-9)16(19)18(2)14-12-4-10-3-11(6-12)7-13(14)5-10/h8,10-14H,3-7H2,1-2H3
InChIKeyRUEJCORMMNOHBU-UHFFFAOYSA-N
XLogP3.35
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Azaspiro[4.5]decan-2-yl-(4-methyl-1,3-thiazol-5-yl)methanone
CID 71999149
N-(1-adamantyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
CID 84556529
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-(cyclohexylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 54140578
N-(1-adamantylmethyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 9505119
(3-Ethylpiperidin-1-yl)-(4-methyl-1,3-thiazol-5-yl)methanone
CID 45823548
N-(2-tert-butylcyclohexyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47283488
4-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)-1,3-thiazole-5-carboxamide
CID 47306663
4-Azatricyclo[4.3.1.13,8]undecan-4-yl-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 47460094
N,4-dimethyl-N-(4-methylpentan-2-yl)-1,3-thiazole-5-carboxamide
CID 51080865

Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(2-adamantyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide (CID 47240135) is N-(2-adamantyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(2-adamantyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(2-adamantyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)N(C)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is RUEJCORMMNOHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2OS/c1-9-15(20-8-17-9)16(19)18(2)14-12-4-10-3-11(6-12)7-13(14)5-10/h8,10-14H,3-7H2,1-2H3.
What are the key properties of N-(2-adamantyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide?
N-(2-adamantyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 290.43 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47240135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).