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

C16H20ClN3O2S — CID 119677147

IUPACN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride
SMILESCc1ccc(-c2csc(NC(=O)C3CNCCO3)n2)cc1C.Cl
InChIInChI=1S/C16H19N3O2S.ClH/c1-10-3-4-12(7-11(10)2)13-9-22-16(18-13)19-15(20)14-8-17-5-6-21-14;/h3-4,7,9,14,17H,5-6,8H2,1-2H3,(H,18,19,20);1H
InChIKeyVWHSTMYTPTZDNP-UHFFFAOYSA-N
MW353.88 g/mol
LogP2.78
Rot. Bonds3

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

N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119677147) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride
PubChem CID119677147
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC NameN-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride
SMILESCc1ccc(-c2csc(NC(=O)C3CNCCO3)n2)cc1C.Cl
InChIInChI=1S/C16H19N3O2S.ClH/c1-10-3-4-12(7-11(10)2)13-9-22-16(18-13)19-15(20)14-8-17-5-6-21-14;/h3-4,7,9,14,17H,5-6,8H2,1-2H3,(H,18,19,20);1H
InChIKeyVWHSTMYTPTZDNP-UHFFFAOYSA-N
XLogP2.78
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride
CID 167990270
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide
CID 119676273
(2S,5R)-5-(aminomethyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide;hydrochloride
CID 120783305
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]morpholine-2-carboxamide;dihydrochloride
CID 119837229
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 1224000
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 733842
ethyl 2-[2-(morpholine-2-carbonylamino)-1,3-thiazol-4-yl]acetate;hydrochloride
CID 119672756
1-acetyl-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 17453393
N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966
(2R)-N-[4-(3,4-dimethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]morpholine-2-carboxamide
CID 167811487
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 119677698
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87405721

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride (CID 119677147) is N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride is Cc1ccc(-c2csc(NC(=O)C3CNCCO3)n2)cc1C.Cl.
What is the InChIKey of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is VWHSTMYTPTZDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S.ClH/c1-10-3-4-12(7-11(10)2)13-9-22-16(18-13)19-15(20)14-8-17-5-6-21-14;/h3-4,7,9,14,17H,5-6,8H2,1-2H3,(H,18,19,20);1H.
What are the key properties of N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride?
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 353.88 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119677147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).