4-tert-butyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride

C14H25Cl2N3OS — CID 120557762

IUPAC4-tert-butyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCC1CNCCC1NC(=O)c1scnc1C(C)(C)C.Cl.Cl
InChIInChI=1S/C14H23N3OS.2ClH/c1-9-7-15-6-5-10(9)17-13(18)11-12(14(2,3)4)16-8-19-11;;/h8-10,15H,5-7H2,1-4H3,(H,17,18);2*1H
InChIKeyBAKKYKIIKOWAIC-UHFFFAOYSA-N
MW354.35 g/mol
LogP3.01
Rot. Bonds2

About 4-tert-butyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride

4-tert-butyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 120557762) has the molecular formula C14H25Cl2N3OS and a molecular weight of 354.35 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-tert-butyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID120557762
Molecular FormulaC14H25Cl2N3OS
Molecular Weight354.35 g/mol
Exact Mass353.11
IUPAC Name4-tert-butyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCC1CNCCC1NC(=O)c1scnc1C(C)(C)C.Cl.Cl
InChIInChI=1S/C14H23N3OS.2ClH/c1-9-7-15-6-5-10(9)17-13(18)11-12(14(2,3)4)16-8-19-11;;/h8-10,15H,5-7H2,1-4H3,(H,17,18);2*1H
InChIKeyBAKKYKIIKOWAIC-UHFFFAOYSA-N
XLogP3.01
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119451255
4-tert-butyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119426079
4-tert-butyl-N-piperidin-4-yl-1,3-thiazole-5-carboxamide
CID 119387512
3-(dimethylsulfamoyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
CID 120556996
4-tert-butyl-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide
CID 119551712
3,5-dimethoxy-4-methyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556165
5-methyl-N-(3-methylpiperidin-4-yl)pyrazine-2-carboxamide;dihydrochloride
CID 120557503
3-(dimethylsulfamoyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 120556997
3-(difluoromethylsulfonyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide;hydrochloride
CID 120553430
2-acetamido-N-(3-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120553729
N-[2-[(3-methylpiperidin-4-yl)carbamoyl]thiophen-3-yl]pyridine-4-carboxamide;dihydrochloride
CID 120555354
3-(4-methylphenyl)-N-(3-methylpiperidin-4-yl)thiophene-2-carboxamide
CID 120554210

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of 4-tert-butyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride (CID 120557762) is 4-tert-butyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for 4-tert-butyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for 4-tert-butyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride is CC1CNCCC1NC(=O)c1scnc1C(C)(C)C.Cl.Cl.
What is the InChIKey of 4-tert-butyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is BAKKYKIIKOWAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS.2ClH/c1-9-7-15-6-5-10(9)17-13(18)11-12(14(2,3)4)16-8-19-11;;/h8-10,15H,5-7H2,1-4H3,(H,17,18);2*1H.
What are the key properties of 4-tert-butyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride?
4-tert-butyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 354.35 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3-methylpiperidin-4-yl)-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 120557762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).