2-(furan-2-yl)-4-phenyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride

C19H21Cl2N3O2S — CID 119385843

IUPAC2-(furan-2-yl)-4-phenyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCNCC1)c1sc(-c2ccco2)nc1-c1ccccc1
InChIInChI=1S/C19H19N3O2S.2ClH/c23-18(21-14-8-10-20-11-9-14)17-16(13-5-2-1-3-6-13)22-19(25-17)15-7-4-12-24-15;;/h1-7,12,14,20H,8-11H2,(H,21,23);2*1H
InChIKeyJVGXUCXILFUTBN-UHFFFAOYSA-N
MW426.37 g/mol
LogP4.40
Rot. Bonds4

About 2-(furan-2-yl)-4-phenyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride

2-(furan-2-yl)-4-phenyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 119385843) has the molecular formula C19H21Cl2N3O2S and a molecular weight of 426.37 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-phenyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(furan-2-yl)-4-phenyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID119385843
Molecular FormulaC19H21Cl2N3O2S
Molecular Weight426.37 g/mol
Exact Mass425.07
IUPAC Name2-(furan-2-yl)-4-phenyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCNCC1)c1sc(-c2ccco2)nc1-c1ccccc1
InChIInChI=1S/C19H19N3O2S.2ClH/c23-18(21-14-8-10-20-11-9-14)17-16(13-5-2-1-3-6-13)22-19(25-17)15-7-4-12-24-15;;/h1-7,12,14,20H,8-11H2,(H,21,23);2*1H
InChIKeyJVGXUCXILFUTBN-UHFFFAOYSA-N
XLogP4.40
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.37
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119455202
N-(3,4-dihydro-2H-chromen-4-yl)-2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 46551376
2-(furan-2-yl)-N-(2-hydroxyphenyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 36766447
N-(4-aminocyclohexyl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 119477493
2-(furan-2-yl)-N-(1-methylpyrazol-4-yl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 32608675
N-(3-methylpiperidin-4-yl)-2,4-diphenyl-1,3-thiazole-5-carboxamide
CID 120557670
[2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
CID 36704275
[2-(furan-2-yl)-4-phenyl-1,3-thiazol-5-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 56544374
2-phenyl-N-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 119390406
2-amino-N-cyclooctyl-4-phenyl-1,3-thiazole-5-carboxamide
CID 39071425
N'-[2-(furan-2-yl)-4-phenyl-1,3-thiazole-5-carbonyl]-4-methyl-2-morpholin-4-yl-1,3-thiazole-5-carbohydrazide
CID 36757551
2-(furan-2-yl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-phenyl-1,3-thiazole-5-carboxamide
CID 55585334

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-phenyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of 2-(furan-2-yl)-4-phenyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride (CID 119385843) is 2-(furan-2-yl)-4-phenyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(furan-2-yl)-4-phenyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for 2-(furan-2-yl)-4-phenyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride is Cl.Cl.O=C(NC1CCNCC1)c1sc(-c2ccco2)nc1-c1ccccc1.
What is the InChIKey of 2-(furan-2-yl)-4-phenyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is JVGXUCXILFUTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S.2ClH/c23-18(21-14-8-10-20-11-9-14)17-16(13-5-2-1-3-6-13)22-19(25-17)15-7-4-12-24-15;;/h1-7,12,14,20H,8-11H2,(H,21,23);2*1H.
What are the key properties of 2-(furan-2-yl)-4-phenyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
2-(furan-2-yl)-4-phenyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 426.37 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-phenyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119385843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).