N-(4-tert-butyl-1,3-thiazol-2-yl)-4-(piperidin-1-ylmethyl)benzamide

C20H27N3OS — CID 24648468

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-4-(piperidin-1-ylmethyl)benzamide
SMILESCC(C)(C)c1csc(NC(=O)c2ccc(CN3CCCCC3)cc2)n1
InChIInChI=1S/C20H27N3OS/c1-20(2,3)17-14-25-19(21-17)22-18(24)16-9-7-15(8-10-16)13-23-11-5-4-6-12-23/h7-10,14H,4-6,11-13H2,1-3H3,(H,21,22,24)
InChIKeyXUYZHLXRLRNZIF-UHFFFAOYSA-N
MW357.52 g/mol
LogP4.68
Rot. Bonds4

About N-(4-tert-butyl-1,3-thiazol-2-yl)-4-(piperidin-1-ylmethyl)benzamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-4-(piperidin-1-ylmethyl)benzamide (PubChem CID 24648468) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-4-(piperidin-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-4-(piperidin-1-ylmethyl)benzamide
PubChem CID24648468
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-4-(piperidin-1-ylmethyl)benzamide
SMILESCC(C)(C)c1csc(NC(=O)c2ccc(CN3CCCCC3)cc2)n1
InChIInChI=1S/C20H27N3OS/c1-20(2,3)17-14-25-19(21-17)22-18(24)16-9-7-15(8-10-16)13-23-11-5-4-6-12-23/h7-10,14H,4-6,11-13H2,1-3H3,(H,21,22,24)
InChIKeyXUYZHLXRLRNZIF-UHFFFAOYSA-N
XLogP4.68
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26243376
4-methoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30182781
N-(4-tert-butyl-1,3-thiazol-2-yl)-3,4-dihydroxybenzamide
CID 103956653
5-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]pyridine-2-carboxylic acid
CID 60725123
4-(azepan-1-ylmethyl)-N-thiophen-3-ylbenzamide
CID 174503984
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-4-(piperidin-1-ylmethyl)benzamide
CID 24668061
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-4-pyrrol-1-ylbenzamide
CID 30183729
4-butoxy-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30183318
N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 17477064
3-[[4-(azepan-1-ylmethyl)-1,3-thiazol-2-yl]carbamoyl]benzoic acid
CID 138001675
N-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)-4-(piperidin-1-ylmethyl)benzamide
CID 166236360
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-(morpholin-4-ylmethyl)benzamide
CID 4796771

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-4-(piperidin-1-ylmethyl)benzamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-4-(piperidin-1-ylmethyl)benzamide (CID 24648468) is N-(4-tert-butyl-1,3-thiazol-2-yl)-4-(piperidin-1-ylmethyl)benzamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-4-(piperidin-1-ylmethyl)benzamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-4-(piperidin-1-ylmethyl)benzamide is CC(C)(C)c1csc(NC(=O)c2ccc(CN3CCCCC3)cc2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-4-(piperidin-1-ylmethyl)benzamide?
The InChIKey is XUYZHLXRLRNZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-20(2,3)17-14-25-19(21-17)22-18(24)16-9-7-15(8-10-16)13-23-11-5-4-6-12-23/h7-10,14H,4-6,11-13H2,1-3H3,(H,21,22,24).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-4-(piperidin-1-ylmethyl)benzamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-(piperidin-1-ylmethyl)benzamide has a molecular weight of 357.52 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-4-(piperidin-1-ylmethyl)benzamide is sourced from PubChem (CID 24648468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).