N-(furan-2-ylmethyl)-4-imidazol-1-yl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide

C19H23N5O2S — CID 155873982

IUPACN-(furan-2-ylmethyl)-4-imidazol-1-yl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCc1nc(CN2CCC(C(=O)NCc3ccco3)(n3ccnc3)CC2)cs1
InChIInChI=1S/C19H23N5O2S/c1-15-22-16(13-27-15)12-23-7-4-19(5-8-23,24-9-6-20-14-24)18(25)21-11-17-3-2-10-26-17/h2-3,6,9-10,13-14H,4-5,7-8,11-12H2,1H3,(H,21,25)
InChIKeyWDAITOBSOIGJQB-UHFFFAOYSA-N
MW385.49 g/mol
LogP2.55
Rot. Bonds6

About N-(furan-2-ylmethyl)-4-imidazol-1-yl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide

N-(furan-2-ylmethyl)-4-imidazol-1-yl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 155873982) has the molecular formula C19H23N5O2S and a molecular weight of 385.49 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-imidazol-1-yl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-imidazol-1-yl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID155873982
Molecular FormulaC19H23N5O2S
Molecular Weight385.49 g/mol
Exact Mass385.16
IUPAC NameN-(furan-2-ylmethyl)-4-imidazol-1-yl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCc1nc(CN2CCC(C(=O)NCc3ccco3)(n3ccnc3)CC2)cs1
InChIInChI=1S/C19H23N5O2S/c1-15-22-16(13-27-15)12-23-7-4-19(5-8-23,24-9-6-20-14-24)18(25)21-11-17-3-2-10-26-17/h2-3,6,9-10,13-14H,4-5,7-8,11-12H2,1H3,(H,21,25)
InChIKeyWDAITOBSOIGJQB-UHFFFAOYSA-N
XLogP2.55
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(furan-2-ylmethyl)-4-imidazol-1-yl-N,N-dimethylpiperidine-4-carboxamide
CID 155874103
N-(furan-2-ylmethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide
CID 61285392
4-imidazol-1-yl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-N-(1-methylpyrazol-3-yl)piperidine-4-carboxamide
CID 155879722
4-imidazol-1-yl-N-(2-methoxyethyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 155871591
1-(furan-2-yl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethane-1,2-dione
CID 77081258
methyl 1-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenylpiperidine-4-carboxylate
CID 75421629
(E)-3-(furan-2-yl)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]prop-2-en-1-one
CID 51308010
furan-2-yl-[(5S)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97483709
furan-2-yl-[2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 131649165
[4-(furan-2-yl)phenyl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 90653085
N-(furan-2-ylmethyl)-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]benzamide
CID 35859606
formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 171695932

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-imidazol-1-yl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-imidazol-1-yl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (CID 155873982) is N-(furan-2-ylmethyl)-4-imidazol-1-yl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-imidazol-1-yl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-imidazol-1-yl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is Cc1nc(CN2CCC(C(=O)NCc3ccco3)(n3ccnc3)CC2)cs1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-imidazol-1-yl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is WDAITOBSOIGJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2S/c1-15-22-16(13-27-15)12-23-7-4-19(5-8-23,24-9-6-20-14-24)18(25)21-11-17-3-2-10-26-17/h2-3,6,9-10,13-14H,4-5,7-8,11-12H2,1H3,(H,21,25).
What are the key properties of N-(furan-2-ylmethyl)-4-imidazol-1-yl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
N-(furan-2-ylmethyl)-4-imidazol-1-yl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 385.49 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-imidazol-1-yl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 155873982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).