N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]adamantane-1-carboxamide

C22H27N3OS — CID 110395267

IUPACN-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]adamantane-1-carboxamide
SMILESCc1nc(-c2cccnc2)sc1CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H27N3OS/c1-14-19(27-20(25-14)18-3-2-5-23-13-18)4-6-24-21(26)22-10-15-7-16(11-22)9-17(8-15)12-22/h2-3,5,13,15-17H,4,6-12H2,1H3,(H,24,26)
InChIKeyGWGWRPSKRAGAJF-UHFFFAOYSA-N
MW381.55 g/mol
LogP4.39
Rot. Bonds5

About N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]adamantane-1-carboxamide

N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]adamantane-1-carboxamide (PubChem CID 110395267) has the molecular formula C22H27N3OS and a molecular weight of 381.55 g/mol. Its IUPAC name is N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]adamantane-1-carboxamide
PubChem CID110395267
Molecular FormulaC22H27N3OS
Molecular Weight381.55 g/mol
Exact Mass381.19
IUPAC NameN-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]adamantane-1-carboxamide
SMILESCc1nc(-c2cccnc2)sc1CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H27N3OS/c1-14-19(27-20(25-14)18-3-2-5-23-13-18)4-6-24-21(26)22-10-15-7-16(11-22)9-17(8-15)12-22/h2-3,5,13,15-17H,4,6-12H2,1H3,(H,24,26)
InChIKeyGWGWRPSKRAGAJF-UHFFFAOYSA-N
XLogP4.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]adamantane-1-carboxamide (CID 110395267) is N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]adamantane-1-carboxamide is Cc1nc(-c2cccnc2)sc1CCNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]adamantane-1-carboxamide?
The InChIKey is GWGWRPSKRAGAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3OS/c1-14-19(27-20(25-14)18-3-2-5-23-13-18)4-6-24-21(26)22-10-15-7-16(11-22)9-17(8-15)12-22/h2-3,5,13,15-17H,4,6-12H2,1H3,(H,24,26).
What are the key properties of N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]adamantane-1-carboxamide?
N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]adamantane-1-carboxamide has a molecular weight of 381.55 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 110395267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).