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

C21H21N3OS — CID 4577236

IUPACN-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
SMILESN#Cc1ccc(-c2csc(NC(=O)C34CC5CC(CC(C5)C3)C4)n2)cc1
InChIInChI=1S/C21H21N3OS/c22-11-13-1-3-17(4-2-13)18-12-26-20(23-18)24-19(25)21-8-14-5-15(9-21)7-16(6-14)10-21/h1-4,12,14-16H,5-10H2,(H,23,24,25)
InChIKeyJCWHQTGBWSRKHK-UHFFFAOYSA-N
MW363.49 g/mol
LogP4.84
Rot. Bonds3

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

N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide (PubChem CID 4577236) has the molecular formula C21H21N3OS and a molecular weight of 363.49 g/mol. Its IUPAC name is N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
PubChem CID4577236
Molecular FormulaC21H21N3OS
Molecular Weight363.49 g/mol
Exact Mass363.14
IUPAC NameN-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
SMILESN#Cc1ccc(-c2csc(NC(=O)C34CC5CC(CC(C5)C3)C4)n2)cc1
InChIInChI=1S/C21H21N3OS/c22-11-13-1-3-17(4-2-13)18-12-26-20(23-18)24-19(25)21-8-14-5-15(9-21)7-16(6-14)10-21/h1-4,12,14-16H,5-10H2,(H,23,24,25)
InChIKeyJCWHQTGBWSRKHK-UHFFFAOYSA-N
XLogP4.84
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(ethylamino)-1,3-thiazol-4-yl]phenyl]adamantane-1-carboxamide
CID 5034381
(5S,7R)-3-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 7948017
2-cyano-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide
CID 146190059
(5R,7R)-3-chloro-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 98277662
N-[4-(2-oxo-3H-1,3-benzoxazol-5-yl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 39072803
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 721661
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 3665007
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 5065233
N-[4-(chloromethyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide
CID 108745940
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8718906
4-[2-(methylamino)-1,3-thiazol-4-yl]benzonitrile
CID 17446227
N-(4-tert-butyl-1,3-thiazol-2-yl)adamantane-1-carboxamide
CID 3107305

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide?
The IUPAC name of N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide (CID 4577236) is N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide is N#Cc1ccc(-c2csc(NC(=O)C34CC5CC(CC(C5)C3)C4)n2)cc1.
What is the InChIKey of N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide?
The InChIKey is JCWHQTGBWSRKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3OS/c22-11-13-1-3-17(4-2-13)18-12-26-20(23-18)24-19(25)21-8-14-5-15(9-21)7-16(6-14)10-21/h1-4,12,14-16H,5-10H2,(H,23,24,25).
What are the key properties of N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide?
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide has a molecular weight of 363.49 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]adamantane-1-carboxamide is sourced from PubChem (CID 4577236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).