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

C15H18ClN3O2S — CID 119757947

IUPACN-[phenyl(1,3-thiazol-2-yl)methyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC(c1ccccc1)c1nccs1)C1CNCCO1
InChIInChI=1S/C15H17N3O2S.ClH/c19-14(12-10-16-6-8-20-12)18-13(15-17-7-9-21-15)11-4-2-1-3-5-11;/h1-5,7,9,12-13,16H,6,8,10H2,(H,18,19);1H
InChIKeyZSPSHLVPDJYBSL-UHFFFAOYSA-N
MW339.85 g/mol
LogP1.76
Rot. Bonds4

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

N-[phenyl(1,3-thiazol-2-yl)methyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119757947) has the molecular formula C15H18ClN3O2S and a molecular weight of 339.85 g/mol. Its IUPAC name is N-[phenyl(1,3-thiazol-2-yl)methyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[phenyl(1,3-thiazol-2-yl)methyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119757947
Molecular FormulaC15H18ClN3O2S
Molecular Weight339.85 g/mol
Exact Mass339.08
IUPAC NameN-[phenyl(1,3-thiazol-2-yl)methyl]morpholine-2-carboxamide;hydrochloride
SMILESCl.O=C(NC(c1ccccc1)c1nccs1)C1CNCCO1
InChIInChI=1S/C15H17N3O2S.ClH/c19-14(12-10-16-6-8-20-12)18-13(15-17-7-9-21-15)11-4-2-1-3-5-11;/h1-5,7,9,12-13,16H,6,8,10H2,(H,18,19);1H
InChIKeyZSPSHLVPDJYBSL-UHFFFAOYSA-N
XLogP1.76
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.85
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide;hydrochloride
CID 130747951
N-[1-benzofuran-2-yl(phenyl)methyl]morpholine-2-carboxamide
CID 119697982
N-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide;dihydrochloride
CID 119858588
N-[(1R)-1-pyridin-2-ylethyl]morpholine-2-carboxamide
CID 81407111
N-[3,4-dihydro-2H-chromen-6-yl(phenyl)methyl]morpholine-2-carboxamide
CID 119779081
N-[(1R)-1-thiophen-2-ylethyl]morpholine-2-carboxamide
CID 81408817
N-[1-[4-(phenylcarbamoylamino)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119722017
N-[1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119685359
N-benzhydryl-2-morpholin-2-ylacetamide;hydrochloride
CID 119675556
N-[1-(3-pyrazol-1-ylphenyl)ethyl]morpholine-2-carboxamide;hydrochloride
CID 119788735
N-[(1R)-1-(3-chlorophenyl)ethyl]morpholine-2-carboxamide
CID 81372205
N-[2-(1,3-thiazol-2-yl)butan-2-yl]morpholine-2-carboxamide
CID 119892435

Frequently Asked Questions

What is the IUPAC name of N-[phenyl(1,3-thiazol-2-yl)methyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[phenyl(1,3-thiazol-2-yl)methyl]morpholine-2-carboxamide;hydrochloride (CID 119757947) is N-[phenyl(1,3-thiazol-2-yl)methyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[phenyl(1,3-thiazol-2-yl)methyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[phenyl(1,3-thiazol-2-yl)methyl]morpholine-2-carboxamide;hydrochloride is Cl.O=C(NC(c1ccccc1)c1nccs1)C1CNCCO1.
What is the InChIKey of N-[phenyl(1,3-thiazol-2-yl)methyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is ZSPSHLVPDJYBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S.ClH/c19-14(12-10-16-6-8-20-12)18-13(15-17-7-9-21-15)11-4-2-1-3-5-11;/h1-5,7,9,12-13,16H,6,8,10H2,(H,18,19);1H.
What are the key properties of N-[phenyl(1,3-thiazol-2-yl)methyl]morpholine-2-carboxamide;hydrochloride?
N-[phenyl(1,3-thiazol-2-yl)methyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 339.85 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl(1,3-thiazol-2-yl)methyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119757947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).