N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride

C16H19Cl2N3O2S — CID 119736971

IUPACN-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride
SMILESCc1nc(NC(=O)C2CNCCO2)sc1Cc1ccccc1Cl.Cl
InChIInChI=1S/C16H18ClN3O2S.ClH/c1-10-14(8-11-4-2-3-5-12(11)17)23-16(19-10)20-15(21)13-9-18-6-7-22-13;/h2-5,13,18H,6-9H2,1H3,(H,19,20,21);1H
InChIKeyLKFXTFMZBQCPFZ-UHFFFAOYSA-N
MW388.32 g/mol
LogP3.04
Rot. Bonds4

About N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride

N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119736971) has the molecular formula C16H19Cl2N3O2S and a molecular weight of 388.32 g/mol. Its IUPAC name is N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride
PubChem CID119736971
Molecular FormulaC16H19Cl2N3O2S
Molecular Weight388.32 g/mol
Exact Mass387.06
IUPAC NameN-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride
SMILESCc1nc(NC(=O)C2CNCCO2)sc1Cc1ccccc1Cl.Cl
InChIInChI=1S/C16H18ClN3O2S.ClH/c1-10-14(8-11-4-2-3-5-12(11)17)23-16(19-10)20-15(21)13-9-18-6-7-22-13;/h2-5,13,18H,6-9H2,1H3,(H,19,20,21);1H
InChIKeyLKFXTFMZBQCPFZ-UHFFFAOYSA-N
XLogP3.04
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.32
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 126782049
(2S,5R)-5-(aminomethyl)-N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 120788672
N-[1-(2-chlorophenyl)-2-methylpropan-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119774356
N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2-[cyclopropyl(methyl)amino]acetamide
CID 86874999
N-(3-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119671790
1-[[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122094985
N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 43836881
N-(2-ethylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119679075
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide
CID 119687344
N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 43836827
N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]-1H-indazole-7-carboxamide
CID 55959104
4-[[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]carbamoylamino]butanoic acid
CID 122094987

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride (CID 119736971) is N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride is Cc1nc(NC(=O)C2CNCCO2)sc1Cc1ccccc1Cl.Cl.
What is the InChIKey of N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is LKFXTFMZBQCPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2S.ClH/c1-10-14(8-11-4-2-3-5-12(11)17)23-16(19-10)20-15(21)13-9-18-6-7-22-13;/h2-5,13,18H,6-9H2,1H3,(H,19,20,21);1H.
What are the key properties of N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride?
N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 388.32 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-chlorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119736971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).