4-butoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide

C20H27N3O2S — CID 30183318

IUPAC4-butoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2nc(CN3CCCCC3)cs2)cc1
InChIInChI=1S/C20H27N3O2S/c1-2-3-13-25-18-9-7-16(8-10-18)19(24)22-20-21-17(15-26-20)14-23-11-5-4-6-12-23/h7-10,15H,2-6,11-14H2,1H3,(H,21,22,24)
InChIKeyNHYZFDUYOXOOIF-UHFFFAOYSA-N
MW373.52 g/mol
LogP4.56
Rot. Bonds8

About 4-butoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide

4-butoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 30183318) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 4-butoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
PubChem CID30183318
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name4-butoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2nc(CN3CCCCC3)cs2)cc1
InChIInChI=1S/C20H27N3O2S/c1-2-3-13-25-18-9-7-16(8-10-18)19(24)22-20-21-17(15-26-20)14-23-11-5-4-6-12-23/h7-10,15H,2-6,11-14H2,1H3,(H,21,22,24)
InChIKeyNHYZFDUYOXOOIF-UHFFFAOYSA-N
XLogP4.56
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182781
4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 112761744
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 17477064
4-(4-ethoxyphenyl)-4-oxo-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]butanamide
CID 30182868
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-4-pyrrol-1-ylbenzamide
CID 30183729
2-(4-benzoylphenoxy)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 30183028
2-ethoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 30182986
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9169455
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30547931
3-bromo-5-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-4-propoxybenzamide
CID 30134855
3-[[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid
CID 138001675
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 134049693

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-butoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide (CID 30183318) is 4-butoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-butoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-butoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide is CCCCOc1ccc(C(=O)Nc2nc(CN3CCCCC3)cs2)cc1.
What is the InChIKey of 4-butoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is NHYZFDUYOXOOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-2-3-13-25-18-9-7-16(8-10-18)19(24)22-20-21-17(15-26-20)14-23-11-5-4-6-12-23/h7-10,15H,2-6,11-14H2,1H3,(H,21,22,24).
What are the key properties of 4-butoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide?
4-butoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 373.52 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 30183318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).