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

C21H25N3OS — CID 110317818

IUPACN-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide
SMILESO=C(NCCc1nc(-c2ccncc2)cs1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H25N3OS/c25-20(21-10-14-7-15(11-21)9-16(8-14)12-21)23-6-3-19-24-18(13-26-19)17-1-4-22-5-2-17/h1-2,4-5,13-16H,3,6-12H2,(H,23,25)
InChIKeyABFJZXZLZVVUKG-UHFFFAOYSA-N
MW367.52 g/mol
LogP4.08
Rot. Bonds5

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

N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide (PubChem CID 110317818) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide
PubChem CID110317818
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC NameN-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide
SMILESO=C(NCCc1nc(-c2ccncc2)cs1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H25N3OS/c25-20(21-10-14-7-15(11-21)9-16(8-14)12-21)23-6-3-19-24-18(13-26-19)17-1-4-22-5-2-17/h1-2,4-5,13-16H,3,6-12H2,(H,23,25)
InChIKeyABFJZXZLZVVUKG-UHFFFAOYSA-N
XLogP4.08
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide
CID 119875480
1-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119875479
(2R)-2-amino-N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119874734
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]adamantane-1-carboxamide
CID 110717869
N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 110317749
N-[3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethylamino]propyl]acetamide
CID 82103538
1-phenyl-3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317790
N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 166222792
ethyl 2-oxo-2-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethylamino]acetate
CID 110317808
N-propyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110647210
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119875509
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]adamantane-1-carboxamide
CID 110397924

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide (CID 110317818) is N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide is O=C(NCCc1nc(-c2ccncc2)cs1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide?
The InChIKey is ABFJZXZLZVVUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3OS/c25-20(21-10-14-7-15(11-21)9-16(8-14)12-21)23-6-3-19-24-18(13-26-19)17-1-4-22-5-2-17/h1-2,4-5,13-16H,3,6-12H2,(H,23,25).
What are the key properties of N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide?
N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide has a molecular weight of 367.52 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 110317818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).