4-(4-ethoxyphenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]butanamide

C21H27N3O3S — CID 30182868

IUPAC4-(4-ethoxyphenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]butanamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2nc(CN3CCCCC3)cs2)cc1
InChIInChI=1S/C21H27N3O3S/c1-2-27-18-8-6-16(7-9-18)19(25)10-11-20(26)23-21-22-17(15-28-21)14-24-12-4-3-5-13-24/h6-9,15H,2-5,10-14H2,1H3,(H,22,23,26)
InChIKeyUKMPBFWZCQCPCV-UHFFFAOYSA-N
MW401.53 g/mol
LogP4.13
Rot. Bonds9

About 4-(4-ethoxyphenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]butanamide

4-(4-ethoxyphenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]butanamide (PubChem CID 30182868) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]butanamide
PubChem CID30182868
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name4-(4-ethoxyphenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]butanamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2nc(CN3CCCCC3)cs2)cc1
InChIInChI=1S/C21H27N3O3S/c1-2-27-18-8-6-16(7-9-18)19(25)10-11-20(26)23-21-22-17(15-28-21)14-24-12-4-3-5-13-24/h6-9,15H,2-5,10-14H2,1H3,(H,22,23,26)
InChIKeyUKMPBFWZCQCPCV-UHFFFAOYSA-N
XLogP4.13
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-butoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30183318
2-(4-benzoylphenoxy)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 30183028
4-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182781
2-(5-methoxy-2-pyridinyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 122132280
4-(4-ethoxyphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
CID 17436186
N-[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 75498849
N-[4-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 30193598
N-[4-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-thiazol-2-yl]-2-(4-ethoxyphenoxy)acetamide
CID 42897621
2-ethoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 30182986
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 112761744
2-[4-(difluoromethoxy)phenyl]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 30183810
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 17477064

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 4-(4-ethoxyphenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]butanamide (CID 30182868) is 4-(4-ethoxyphenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 4-(4-ethoxyphenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 4-(4-ethoxyphenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]butanamide is CCOc1ccc(C(=O)CCC(=O)Nc2nc(CN3CCCCC3)cs2)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]butanamide?
The InChIKey is UKMPBFWZCQCPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-2-27-18-8-6-16(7-9-18)19(25)10-11-20(26)23-21-22-17(15-28-21)14-24-12-4-3-5-13-24/h6-9,15H,2-5,10-14H2,1H3,(H,22,23,26).
What are the key properties of 4-(4-ethoxyphenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]butanamide?
4-(4-ethoxyphenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]butanamide has a molecular weight of 401.53 g/mol, XLogP of 4.13, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 30182868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).