N-methyl-2-(5-methylfuran-2-yl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride

C15H20ClN3O2S — CID 119444482

IUPACN-methyl-2-(5-methylfuran-2-yl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCc1ccc(-c2nc(C(=O)N(C)C3CCNCC3)cs2)o1.Cl
InChIInChI=1S/C15H19N3O2S.ClH/c1-10-3-4-13(20-10)14-17-12(9-21-14)15(19)18(2)11-5-7-16-8-6-11;/h3-4,9,11,16H,5-8H2,1-2H3;1H
InChIKeyGQGDGVGJINMVLQ-UHFFFAOYSA-N
MW341.86 g/mol
LogP2.96
Rot. Bonds3

About N-methyl-2-(5-methylfuran-2-yl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride

N-methyl-2-(5-methylfuran-2-yl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride (PubChem CID 119444482) has the molecular formula C15H20ClN3O2S and a molecular weight of 341.86 g/mol. Its IUPAC name is N-methyl-2-(5-methylfuran-2-yl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-2-(5-methylfuran-2-yl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride
PubChem CID119444482
Molecular FormulaC15H20ClN3O2S
Molecular Weight341.86 g/mol
Exact Mass341.10
IUPAC NameN-methyl-2-(5-methylfuran-2-yl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride
SMILESCc1ccc(-c2nc(C(=O)N(C)C3CCNCC3)cs2)o1.Cl
InChIInChI=1S/C15H19N3O2S.ClH/c1-10-3-4-13(20-10)14-17-12(9-21-14)15(19)18(2)11-5-7-16-8-6-11;/h3-4,9,11,16H,5-8H2,1-2H3;1H
InChIKeyGQGDGVGJINMVLQ-UHFFFAOYSA-N
XLogP2.96
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide
CID 110003312
N-methyl-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
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CID 109388495
2-(5-chlorothiophen-2-yl)-N-methyl-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;dihydrochloride
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N-[(4S)-4-methoxypyrrolidin-3-yl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
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2-[ethyl-[2-(5-methylfuran-2-yl)-1,3-thiazole-4-carbonyl]amino]acetic acid
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N-methyl-2-(4-propoxyphenyl)-N-pyrrolidin-3-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 119552224
N-cyclohexyl-N-methyl-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-methylfuran-2-yl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride?
The IUPAC name of N-methyl-2-(5-methylfuran-2-yl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride (CID 119444482) is N-methyl-2-(5-methylfuran-2-yl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-methyl-2-(5-methylfuran-2-yl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-methyl-2-(5-methylfuran-2-yl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride is Cc1ccc(-c2nc(C(=O)N(C)C3CCNCC3)cs2)o1.Cl.
What is the InChIKey of N-methyl-2-(5-methylfuran-2-yl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride?
The InChIKey is GQGDGVGJINMVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S.ClH/c1-10-3-4-13(20-10)14-17-12(9-21-14)15(19)18(2)11-5-7-16-8-6-11;/h3-4,9,11,16H,5-8H2,1-2H3;1H.
What are the key properties of N-methyl-2-(5-methylfuran-2-yl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride?
N-methyl-2-(5-methylfuran-2-yl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride has a molecular weight of 341.86 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-methylfuran-2-yl)-N-piperidin-4-yl-1,3-thiazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119444482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).