2-(1-adamantyl)-N-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide

C27H31N5O2S — CID 55585724

IUPAC2-(1-adamantyl)-N-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide
SMILESCn1ccnc1-c1sc(NC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)nc1-c1ccccc1
InChIInChI=1S/C27H31N5O2S/c1-32-8-7-28-25(32)24-23(20-5-3-2-4-6-20)31-26(35-24)30-22(34)16-29-21(33)15-27-12-17-9-18(13-27)11-19(10-17)14-27/h2-8,17-19H,9-16H2,1H3,(H,29,33)(H,30,31,34)
InChIKeyDGZZGWLJOHGMKO-UHFFFAOYSA-N
MW489.65 g/mol
LogP4.87
Rot. Bonds7

About 2-(1-adamantyl)-N-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide

2-(1-adamantyl)-N-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide (PubChem CID 55585724) has the molecular formula C27H31N5O2S and a molecular weight of 489.65 g/mol. Its IUPAC name is 2-(1-adamantyl)-N-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(1-adamantyl)-N-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide
PubChem CID55585724
Molecular FormulaC27H31N5O2S
Molecular Weight489.65 g/mol
Exact Mass489.22
IUPAC Name2-(1-adamantyl)-N-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide
SMILESCn1ccnc1-c1sc(NC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)nc1-c1ccccc1
InChIInChI=1S/C27H31N5O2S/c1-32-8-7-28-25(32)24-23(20-5-3-2-4-6-20)31-26(35-24)30-22(34)16-29-21(33)15-27-12-17-9-18(13-27)11-19(10-17)14-27/h2-8,17-19H,9-16H2,1H3,(H,29,33)(H,30,31,34)
InChIKeyDGZZGWLJOHGMKO-UHFFFAOYSA-N
XLogP4.87
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.65
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 55545312
2-(1-adamantyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)acetamide
CID 4921109
N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 55516485
1-(4-bromophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 55520947
2-(4-methoxyphenyl)sulfanyl-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 55517376
cis-(1S,2R)-2-(2-fluorophenyl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 97184901
2,4,5-trimethyl-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]furan-3-carboxamide
CID 75466522
N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-1-prop-2-ynylpiperidine-2-carboxamide
CID 56555641
ethyl N-[3-methyl-1-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-1-oxobutan-2-yl]carbamate
CID 56555834
N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]-2-methylsulfonylbenzamide
CID 55514296
2-(2-methoxyethoxy)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 56555673
2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-N-[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 55517443

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-N-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide?
The IUPAC name of 2-(1-adamantyl)-N-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide (CID 55585724) is 2-(1-adamantyl)-N-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(1-adamantyl)-N-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(1-adamantyl)-N-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide is Cn1ccnc1-c1sc(NC(=O)CNC(=O)CC23CC4CC(CC(C4)C2)C3)nc1-c1ccccc1.
What is the InChIKey of 2-(1-adamantyl)-N-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide?
The InChIKey is DGZZGWLJOHGMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O2S/c1-32-8-7-28-25(32)24-23(20-5-3-2-4-6-20)31-26(35-24)30-22(34)16-29-21(33)15-27-12-17-9-18(13-27)11-19(10-17)14-27/h2-8,17-19H,9-16H2,1H3,(H,29,33)(H,30,31,34).
What are the key properties of 2-(1-adamantyl)-N-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide?
2-(1-adamantyl)-N-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide has a molecular weight of 489.65 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-N-[2-[[5-(1-methylimidazol-2-yl)-4-phenyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 55585724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).