N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]morpholine-2-carboxamide;dihydrochloride

C17H23Cl2N3O2S — CID 119837229

IUPACN-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]morpholine-2-carboxamide;dihydrochloride
SMILESCc1nc(-c2ccc(CCNC(=O)C3CNCCO3)cc2)cs1.Cl.Cl
InChIInChI=1S/C17H21N3O2S.2ClH/c1-12-20-15(11-23-12)14-4-2-13(3-5-14)6-7-19-17(21)16-10-18-8-9-22-16;;/h2-5,11,16,18H,6-10H2,1H3,(H,19,21);2*1H
InChIKeyHKNGHEYDRGLWIV-UHFFFAOYSA-N
MW404.36 g/mol
LogP2.61
Rot. Bonds5

About N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]morpholine-2-carboxamide;dihydrochloride

N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]morpholine-2-carboxamide;dihydrochloride (PubChem CID 119837229) has the molecular formula C17H23Cl2N3O2S and a molecular weight of 404.36 g/mol. Its IUPAC name is N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]morpholine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]morpholine-2-carboxamide;dihydrochloride
PubChem CID119837229
Molecular FormulaC17H23Cl2N3O2S
Molecular Weight404.36 g/mol
Exact Mass403.09
IUPAC NameN-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]morpholine-2-carboxamide;dihydrochloride
SMILESCc1nc(-c2ccc(CCNC(=O)C3CNCCO3)cc2)cs1.Cl.Cl
InChIInChI=1S/C17H21N3O2S.2ClH/c1-12-20-15(11-23-12)14-4-2-13(3-5-14)6-7-19-17(21)16-10-18-8-9-22-16;;/h2-5,11,16,18H,6-10H2,1H3,(H,19,21);2*1H
InChIKeyHKNGHEYDRGLWIV-UHFFFAOYSA-N
XLogP2.61
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]morpholine-2-carboxamide;hydrochloride
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CID 119837217
4-amino-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]butanamide;dihydrochloride
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N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]morpholine-2-carboxamide
CID 119676273
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]benzamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]morpholine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]morpholine-2-carboxamide;dihydrochloride (CID 119837229) is N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]morpholine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]morpholine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]morpholine-2-carboxamide;dihydrochloride is Cc1nc(-c2ccc(CCNC(=O)C3CNCCO3)cc2)cs1.Cl.Cl.
What is the InChIKey of N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]morpholine-2-carboxamide;dihydrochloride?
The InChIKey is HKNGHEYDRGLWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S.2ClH/c1-12-20-15(11-23-12)14-4-2-13(3-5-14)6-7-19-17(21)16-10-18-8-9-22-16;;/h2-5,11,16,18H,6-10H2,1H3,(H,19,21);2*1H.
What are the key properties of N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]morpholine-2-carboxamide;dihydrochloride?
N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]morpholine-2-carboxamide;dihydrochloride has a molecular weight of 404.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]morpholine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119837229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).