5-phenyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2H-triazole-4-carboxamide

C18H20N6OS — CID 126781218

IUPAC5-phenyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2H-triazole-4-carboxamide
SMILESO=C(Nc1nc(CN2CCCCC2)cs1)c1n[nH]nc1-c1ccccc1
InChIInChI=1S/C18H20N6OS/c25-17(16-15(21-23-22-16)13-7-3-1-4-8-13)20-18-19-14(12-26-18)11-24-9-5-2-6-10-24/h1,3-4,7-8,12H,2,5-6,9-11H2,(H,19,20,25)(H,21,22,23)
InChIKeyFZHYMHMETXFROA-UHFFFAOYSA-N
MW368.47 g/mol
LogP3.17
Rot. Bonds5

About 5-phenyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2H-triazole-4-carboxamide

5-phenyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2H-triazole-4-carboxamide (PubChem CID 126781218) has the molecular formula C18H20N6OS and a molecular weight of 368.47 g/mol. Its IUPAC name is 5-phenyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2H-triazole-4-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2H-triazole-4-carboxamide
PubChem CID126781218
Molecular FormulaC18H20N6OS
Molecular Weight368.47 g/mol
Exact Mass368.14
IUPAC Name5-phenyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2H-triazole-4-carboxamide
SMILESO=C(Nc1nc(CN2CCCCC2)cs1)c1n[nH]nc1-c1ccccc1
InChIInChI=1S/C18H20N6OS/c25-17(16-15(21-23-22-16)13-7-3-1-4-8-13)20-18-19-14(12-26-18)11-24-9-5-2-6-10-24/h1,3-4,7-8,12H,2,5-6,9-11H2,(H,19,20,25)(H,21,22,23)
InChIKeyFZHYMHMETXFROA-UHFFFAOYSA-N
XLogP3.17
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-hydroxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 134051886
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CID 17477064
3-[[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid
CID 138001675
N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 36847091
3-(benzenesulfonyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 167983152
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 46536572
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-4-pyrrol-1-ylbenzamide
CID 30183729
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119998726
3-(phenoxymethyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]furan-2-carboxamide
CID 46699094
5-bromo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 78775861
4-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182781
2-(4-chlorophenyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 30184342

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2H-triazole-4-carboxamide?
The IUPAC name of 5-phenyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2H-triazole-4-carboxamide (CID 126781218) is 5-phenyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2H-triazole-4-carboxamide.
What is the SMILES notation for 5-phenyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2H-triazole-4-carboxamide?
The canonical SMILES for 5-phenyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2H-triazole-4-carboxamide is O=C(Nc1nc(CN2CCCCC2)cs1)c1n[nH]nc1-c1ccccc1.
What is the InChIKey of 5-phenyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2H-triazole-4-carboxamide?
The InChIKey is FZHYMHMETXFROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6OS/c25-17(16-15(21-23-22-16)13-7-3-1-4-8-13)20-18-19-14(12-26-18)11-24-9-5-2-6-10-24/h1,3-4,7-8,12H,2,5-6,9-11H2,(H,19,20,25)(H,21,22,23).
What are the key properties of 5-phenyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2H-triazole-4-carboxamide?
5-phenyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2H-triazole-4-carboxamide has a molecular weight of 368.47 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2H-triazole-4-carboxamide is sourced from PubChem (CID 126781218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).