2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide

C21H26N4O2S — CID 18135337

IUPAC2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1cccc(Cc2cnc(NC(=O)CN3CCN(C(=O)C4CC4)CC3)s2)c1
InChIInChI=1S/C21H26N4O2S/c1-15-3-2-4-16(11-15)12-18-13-22-21(28-18)23-19(26)14-24-7-9-25(10-8-24)20(27)17-5-6-17/h2-4,11,13,17H,5-10,12,14H2,1H3,(H,22,23,26)
InChIKeyKCPQOCNDMZPWTL-UHFFFAOYSA-N
MW398.53 g/mol
LogP2.54
Rot. Bonds6

About 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide

2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 18135337) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID18135337
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC Name2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCc1cccc(Cc2cnc(NC(=O)CN3CCN(C(=O)C4CC4)CC3)s2)c1
InChIInChI=1S/C21H26N4O2S/c1-15-3-2-4-16(11-15)12-18-13-22-21(28-18)23-19(26)14-24-7-9-25(10-8-24)20(27)17-5-6-17/h2-4,11,13,17H,5-10,12,14H2,1H3,(H,22,23,26)
InChIKeyKCPQOCNDMZPWTL-UHFFFAOYSA-N
XLogP2.54
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 17404860
2-(2,6-dichlorophenyl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 7535969
N-cyclopropyl-2-[methyl-[2-[[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]amino]acetamide
CID 86911641
3-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 26011114
2-(5-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 17033483
2-[4-[4-cyano-2-(furan-2-yl)-1,3-oxazol-5-yl]piperazin-1-yl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 30870443
2-methyl-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 4212019
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 18827605
1-fluoro-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 167862447
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-(4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 9116676
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 17408346
N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide
CID 86894593

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide (CID 18135337) is 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide is Cc1cccc(Cc2cnc(NC(=O)CN3CCN(C(=O)C4CC4)CC3)s2)c1.
What is the InChIKey of 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is KCPQOCNDMZPWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-15-3-2-4-16(11-15)12-18-13-22-21(28-18)23-19(26)14-24-7-9-25(10-8-24)20(27)17-5-6-17/h2-4,11,13,17H,5-10,12,14H2,1H3,(H,22,23,26).
What are the key properties of 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide?
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 398.53 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 18135337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).