2-[4-(hydroxymethyl)piperidin-1-yl]-N-[5-(3-methylphenyl)-1,3-thiazol-2-yl]acetamide

C18H23N3O2S — CID 138017082

IUPAC2-[4-(hydroxymethyl)piperidin-1-yl]-N-[5-(3-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1cccc(-c2cnc(NC(=O)CN3CCC(CO)CC3)s2)c1
InChIInChI=1S/C18H23N3O2S/c1-13-3-2-4-15(9-13)16-10-19-18(24-16)20-17(23)11-21-7-5-14(12-22)6-8-21/h2-4,9-10,14,22H,5-8,11-12H2,1H3,(H,19,20,23)
InChIKeyPYABGRXHPNUPLO-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.76
Rot. Bonds5

About 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[5-(3-methylphenyl)-1,3-thiazol-2-yl]acetamide

2-[4-(hydroxymethyl)piperidin-1-yl]-N-[5-(3-methylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 138017082) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[5-(3-methylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)piperidin-1-yl]-N-[5-(3-methylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID138017082
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC Name2-[4-(hydroxymethyl)piperidin-1-yl]-N-[5-(3-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1cccc(-c2cnc(NC(=O)CN3CCC(CO)CC3)s2)c1
InChIInChI=1S/C18H23N3O2S/c1-13-3-2-4-15(9-13)16-10-19-18(24-16)20-17(23)11-21-7-5-14(12-22)6-8-21/h2-4,9-10,14,22H,5-8,11-12H2,1H3,(H,19,20,23)
InChIKeyPYABGRXHPNUPLO-UHFFFAOYSA-N
XLogP2.76
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylmethylamino)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide
CID 119720410
2-(cyclopropylmethylamino)-N-(5-phenyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119720409
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 18135337
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(4-phenylphenyl)acetamide
CID 60510320
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 60768456
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 60500965
3-methyl-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 58033086
N-(5-chloro-2-pyridinyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 110899282
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 63248780
N-(3-chloro-2-methylphenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 47279950
N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]-2-[4-(2-phenoxyacetyl)piperazin-1-yl]acetamide
CID 50825654
1-cyclopropyl-N-[5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 167847958

Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[5-(3-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[5-(3-methylphenyl)-1,3-thiazol-2-yl]acetamide (CID 138017082) is 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[5-(3-methylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[5-(3-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[5-(3-methylphenyl)-1,3-thiazol-2-yl]acetamide is Cc1cccc(-c2cnc(NC(=O)CN3CCC(CO)CC3)s2)c1.
What is the InChIKey of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[5-(3-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is PYABGRXHPNUPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-13-3-2-4-15(9-13)16-10-19-18(24-16)20-17(23)11-21-7-5-14(12-22)6-8-21/h2-4,9-10,14,22H,5-8,11-12H2,1H3,(H,19,20,23).
What are the key properties of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[5-(3-methylphenyl)-1,3-thiazol-2-yl]acetamide?
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[5-(3-methylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 345.47 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[5-(3-methylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 138017082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).