2-benzyl-4-methyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride

C17H23Cl2N3OS — CID 119424509

IUPAC2-benzyl-4-methyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCc1nc(Cc2ccccc2)sc1C(=O)NC1CCCNC1.Cl.Cl
InChIInChI=1S/C17H21N3OS.2ClH/c1-12-16(17(21)20-14-8-5-9-18-11-14)22-15(19-12)10-13-6-3-2-4-7-13;;/h2-4,6-7,14,18H,5,8-11H2,1H3,(H,20,21);2*1H
InChIKeyBIYCFIYHYGUECV-UHFFFAOYSA-N
MW388.36 g/mol
LogP3.37
Rot. Bonds4

About 2-benzyl-4-methyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride

2-benzyl-4-methyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 119424509) has the molecular formula C17H23Cl2N3OS and a molecular weight of 388.36 g/mol. Its IUPAC name is 2-benzyl-4-methyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-benzyl-4-methyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID119424509
Molecular FormulaC17H23Cl2N3OS
Molecular Weight388.36 g/mol
Exact Mass387.09
IUPAC Name2-benzyl-4-methyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCc1nc(Cc2ccccc2)sc1C(=O)NC1CCCNC1.Cl.Cl
InChIInChI=1S/C17H21N3OS.2ClH/c1-12-16(17(21)20-14-8-5-9-18-11-14)22-15(19-12)10-13-6-3-2-4-7-13;;/h2-4,6-7,14,18H,5,8-11H2,1H3,(H,20,21);2*1H
InChIKeyBIYCFIYHYGUECV-UHFFFAOYSA-N
XLogP3.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.36
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminocyclohexyl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 119474665
2-benzyl-N-(1-benzylpiperidin-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 39084162
2,4-dimethyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119425598
cis-(1S,3R)-3-[(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675305
2-cyclopentyl-4-methyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119428648
2-(4-chlorophenyl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119452782
4-amino-2-(benzylamino)-N-piperidin-3-yl-1,3-thiazole-5-carboxamide
CID 75092258
2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 39084112
cis-(1R,3S)-3-[[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678890
(2-benzyl-4-methyl-1,3-thiazol-5-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119559983
2-(5-chlorothiophen-2-yl)-4-methyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;hydrochloride
CID 119450424
4-methyl-2-phenyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119534158

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-methyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of 2-benzyl-4-methyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride (CID 119424509) is 2-benzyl-4-methyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for 2-benzyl-4-methyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for 2-benzyl-4-methyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride is Cc1nc(Cc2ccccc2)sc1C(=O)NC1CCCNC1.Cl.Cl.
What is the InChIKey of 2-benzyl-4-methyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is BIYCFIYHYGUECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS.2ClH/c1-12-16(17(21)20-14-8-5-9-18-11-14)22-15(19-12)10-13-6-3-2-4-7-13;;/h2-4,6-7,14,18H,5,8-11H2,1H3,(H,20,21);2*1H.
What are the key properties of 2-benzyl-4-methyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride?
2-benzyl-4-methyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 388.36 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-methyl-N-piperidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119424509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).