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

C18H24ClN3O2S — CID 119779753

IUPACN-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]morpholine-3-carboxamide;hydrochloride
SMILESCc1ccc(-c2nc(C)c(C(C)NC(=O)C3COCCN3)s2)cc1.Cl
InChIInChI=1S/C18H23N3O2S.ClH/c1-11-4-6-14(7-5-11)18-21-13(3)16(24-18)12(2)20-17(22)15-10-23-9-8-19-15;/h4-7,12,15,19H,8-10H2,1-3H3,(H,20,22);1H
InChIKeyRXZSVWCQIAWJQQ-UHFFFAOYSA-N
MW381.93 g/mol
LogP3.01
Rot. Bonds4

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

N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119779753) has the molecular formula C18H24ClN3O2S and a molecular weight of 381.93 g/mol. Its IUPAC name is N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]morpholine-3-carboxamide;hydrochloride
PubChem CID119779753
Molecular FormulaC18H24ClN3O2S
Molecular Weight381.93 g/mol
Exact Mass381.13
IUPAC NameN-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]morpholine-3-carboxamide;hydrochloride
SMILESCc1ccc(-c2nc(C)c(C(C)NC(=O)C3COCCN3)s2)cc1.Cl
InChIInChI=1S/C18H23N3O2S.ClH/c1-11-4-6-14(7-5-11)18-21-13(3)16(24-18)12(2)20-17(22)15-10-23-9-8-19-15;/h4-7,12,15,19H,8-10H2,1-3H3,(H,20,22);1H
InChIKeyRXZSVWCQIAWJQQ-UHFFFAOYSA-N
XLogP3.01
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.93
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]morpholine-3-carboxamide;hydrochloride (CID 119779753) is N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]morpholine-3-carboxamide;hydrochloride is Cc1ccc(-c2nc(C)c(C(C)NC(=O)C3COCCN3)s2)cc1.Cl.
What is the InChIKey of N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is RXZSVWCQIAWJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S.ClH/c1-11-4-6-14(7-5-11)18-21-13(3)16(24-18)12(2)20-17(22)15-10-23-9-8-19-15;/h4-7,12,15,19H,8-10H2,1-3H3,(H,20,22);1H.
What are the key properties of N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]morpholine-3-carboxamide;hydrochloride?
N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 381.93 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119779753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).