N-[4-[2-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

C22H22N4O4S — CID 38199475

IUPACN-[4-[2-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Cc1csc(NC(=O)c2ccccc2)n1)NC1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C22H22N4O4S/c27-19(23-17-6-9-26(10-7-17)21(29)16-8-11-30-13-16)12-18-14-31-22(24-18)25-20(28)15-4-2-1-3-5-15/h1-5,8,11,13-14,17H,6-7,9-10,12H2,(H,23,27)(H,24,25,28)
InChIKeyBOILUZNXADGZHM-UHFFFAOYSA-N
MW438.51 g/mol
LogP2.95
Rot. Bonds6

About N-[4-[2-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide

N-[4-[2-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 38199475) has the molecular formula C22H22N4O4S and a molecular weight of 438.51 g/mol. Its IUPAC name is N-[4-[2-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-[2-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
PubChem CID38199475
Molecular FormulaC22H22N4O4S
Molecular Weight438.51 g/mol
Exact Mass438.14
IUPAC NameN-[4-[2-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
SMILESO=C(Cc1csc(NC(=O)c2ccccc2)n1)NC1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C22H22N4O4S/c27-19(23-17-6-9-26(10-7-17)21(29)16-8-11-30-13-16)12-18-14-31-22(24-18)25-20(28)15-4-2-1-3-5-15/h1-5,8,11,13-14,17H,6-7,9-10,12H2,(H,23,27)(H,24,25,28)
InChIKeyBOILUZNXADGZHM-UHFFFAOYSA-N
XLogP2.95
TPSA104.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]benzamide
CID 41483133
2-[2-(furan-3-carbonylamino)-1,3-thiazol-4-yl]acetic acid
CID 16774692
N-[4-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide
CID 22830480
1-[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide
CID 49352343
N-[4-[2-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]ethyl]-1,3-thiazol-2-yl]benzamide
CID 41483674
4-[[2-(2-benzamido-1,3-thiazol-4-yl)acetyl]amino]-2-chloro-N-cyclopropylbenzamide
CID 55805399
N-[4-[2-oxo-2-(9H-xanthen-9-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 56547481
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18146081
2-(2,6-dichlorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide
CID 38198477
1-(furan-3-carbonyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 35509215
N-[4-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 29370806
N-[4-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 46549313

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-[2-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide (CID 38199475) is N-[4-[2-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-[2-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-[2-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is O=C(Cc1csc(NC(=O)c2ccccc2)n1)NC1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of N-[4-[2-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is BOILUZNXADGZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4S/c27-19(23-17-6-9-26(10-7-17)21(29)16-8-11-30-13-16)12-18-14-31-22(24-18)25-20(28)15-4-2-1-3-5-15/h1-5,8,11,13-14,17H,6-7,9-10,12H2,(H,23,27)(H,24,25,28).
What are the key properties of N-[4-[2-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide?
N-[4-[2-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 438.51 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 38199475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).