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

C15H17Cl2N3O2S — CID 102553859

IUPACN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)C1COCCN1
InChIInChI=1S/C15H16ClN3O2S.ClH/c16-11-3-1-2-10(6-11)7-12-8-18-15(22-12)19-14(20)13-9-21-5-4-17-13;/h1-3,6,8,13,17H,4-5,7,9H2,(H,18,19,20);1H
InChIKeyXDPRASTYBFKWOH-UHFFFAOYSA-N
MW374.29 g/mol
LogP2.74
Rot. Bonds4

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

N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride (PubChem CID 102553859) has the molecular formula C15H17Cl2N3O2S and a molecular weight of 374.29 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride
PubChem CID102553859
Molecular FormulaC15H17Cl2N3O2S
Molecular Weight374.29 g/mol
Exact Mass373.04
IUPAC NameN-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)C1COCCN1
InChIInChI=1S/C15H16ClN3O2S.ClH/c16-11-3-1-2-10(6-11)7-12-8-18-15(22-12)19-14(20)13-9-21-5-4-17-13;/h1-3,6,8,13,17H,4-5,7,9H2,(H,18,19,20);1H
InChIKeyXDPRASTYBFKWOH-UHFFFAOYSA-N
XLogP2.74
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.29
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(3-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]morpholine-3-carboxamide;hydrochloride
CID 119807010
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CID 119755286
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]acetamide
CID 2239669
2-acetamido-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]propanamide
CID 43045656
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 55495860
tert-butyl 4-[[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]carbamoyl]piperidine-1-carboxylate
CID 46525028
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-1H-indazole-3-carboxamide
CID 42353684
(2R,3S)-2-methyl-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride
CID 120920488
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 86974494
(2S)-N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylbutanamide
CID 58033052
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide
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N-(4-chlorophenyl)-5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine
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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride (CID 102553859) is N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride is Cl.O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)C1COCCN1.
What is the InChIKey of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is XDPRASTYBFKWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S.ClH/c16-11-3-1-2-10(6-11)7-12-8-18-15(22-12)19-14(20)13-9-21-5-4-17-13;/h1-3,6,8,13,17H,4-5,7,9H2,(H,18,19,20);1H.
What are the key properties of N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride?
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 374.29 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 102553859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).