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

C22H26N2OS — CID 90546468

IUPACN-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]adamantane-1-carboxamide
SMILESCc1nc(-c2ccccc2)sc1CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H26N2OS/c1-14-19(26-20(24-14)18-5-3-2-4-6-18)13-23-21(25)22-10-15-7-16(11-22)9-17(8-15)12-22/h2-6,15-17H,7-13H2,1H3,(H,23,25)
InChIKeyWBBVYUNAGPTBAL-UHFFFAOYSA-N
MW366.53 g/mol
LogP4.95
Rot. Bonds4

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

N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]adamantane-1-carboxamide (PubChem CID 90546468) has the molecular formula C22H26N2OS and a molecular weight of 366.53 g/mol. Its IUPAC name is N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]adamantane-1-carboxamide
PubChem CID90546468
Molecular FormulaC22H26N2OS
Molecular Weight366.53 g/mol
Exact Mass366.18
IUPAC NameN-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]adamantane-1-carboxamide
SMILESCc1nc(-c2ccccc2)sc1CNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H26N2OS/c1-14-19(26-20(24-14)18-5-3-2-4-6-18)13-23-21(25)22-10-15-7-16(11-22)9-17(8-15)12-22/h2-6,15-17H,7-13H2,1H3,(H,23,25)
InChIKeyWBBVYUNAGPTBAL-UHFFFAOYSA-N
XLogP4.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]adamantane-1-carboxamide?
The IUPAC name of N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]adamantane-1-carboxamide (CID 90546468) is N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]adamantane-1-carboxamide is Cc1nc(-c2ccccc2)sc1CNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]adamantane-1-carboxamide?
The InChIKey is WBBVYUNAGPTBAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2OS/c1-14-19(26-20(24-14)18-5-3-2-4-6-18)13-23-21(25)22-10-15-7-16(11-22)9-17(8-15)12-22/h2-6,15-17H,7-13H2,1H3,(H,23,25).
What are the key properties of N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]adamantane-1-carboxamide?
N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]adamantane-1-carboxamide has a molecular weight of 366.53 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]adamantane-1-carboxamide is sourced from PubChem (CID 90546468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).