2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride

C16H29Cl2N3OS — CID 119559461

IUPAC2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride
SMILESCC(C)(C)c1nc(CC(=O)NCCC2CCCNC2)cs1.Cl.Cl
InChIInChI=1S/C16H27N3OS.2ClH/c1-16(2,3)15-19-13(11-21-15)9-14(20)18-8-6-12-5-4-7-17-10-12;;/h11-12,17H,4-10H2,1-3H3,(H,18,20);2*1H
InChIKeyIAUPXHXYZLVMOT-UHFFFAOYSA-N
MW382.40 g/mol
LogP3.33
Rot. Bonds5

About 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride

2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride (PubChem CID 119559461) has the molecular formula C16H29Cl2N3OS and a molecular weight of 382.40 g/mol. Its IUPAC name is 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride
PubChem CID119559461
Molecular FormulaC16H29Cl2N3OS
Molecular Weight382.40 g/mol
Exact Mass381.14
IUPAC Name2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride
SMILESCC(C)(C)c1nc(CC(=O)NCCC2CCCNC2)cs1.Cl.Cl
InChIInChI=1S/C16H27N3OS.2ClH/c1-16(2,3)15-19-13(11-21-15)9-14(20)18-8-6-12-5-4-7-17-10-12;;/h11-12,17H,4-10H2,1-3H3,(H,18,20);2*1H
InChIKeyIAUPXHXYZLVMOT-UHFFFAOYSA-N
XLogP3.33
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[4-[2-oxo-2-(2-piperidin-3-ylethylamino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 119556347
2-(2-benzyl-1,3-thiazol-4-yl)-N-(2-piperidin-3-ylethyl)acetamide
CID 119556470
2-[2-(2-oxopyrrolidin-1-yl)-1,3-thiazol-4-yl]-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride
CID 119556941
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(3-piperazin-1-ylpropyl)acetamide;dihydrochloride
CID 119394536
2-(4-methylphenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119260712
2-methyl-N-[4-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119461261
5,5-dimethyl-N-(2-piperidin-3-ylethyl)hexanamide;hydrochloride
CID 119559479
4-tert-butyl-N-(2-piperidin-3-ylethyl)thiadiazole-5-carboxamide
CID 65210288
4-tert-butyl-N-[3-oxo-3-(2-piperidin-3-ylethylamino)propyl]benzamide
CID 119556823
2-tert-butyl-4-methyl-6-oxo-N-(2-piperidin-3-ylethyl)-1H-pyrimidine-5-carboxamide;hydrochloride
CID 137095563
2-(4-bromophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119557338
N-(3-aminobutyl)-2-(2-tert-butyl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119499665

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride?
The IUPAC name of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride (CID 119559461) is 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride.
What is the SMILES notation for 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride?
The canonical SMILES for 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride is CC(C)(C)c1nc(CC(=O)NCCC2CCCNC2)cs1.Cl.Cl.
What is the InChIKey of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride?
The InChIKey is IAUPXHXYZLVMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS.2ClH/c1-16(2,3)15-19-13(11-21-15)9-14(20)18-8-6-12-5-4-7-17-10-12;;/h11-12,17H,4-10H2,1-3H3,(H,18,20);2*1H.
What are the key properties of 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride?
2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride has a molecular weight of 382.40 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-1,3-thiazol-4-yl)-N-(2-piperidin-3-ylethyl)acetamide;dihydrochloride is sourced from PubChem (CID 119559461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).