(2R,3S)-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride

C18H23Cl2N3O2S — CID 120931705

IUPAC(2R,3S)-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(C)NC(=O)[C@H]1NCCO[C@@H]1C.Cl
InChIInChI=1S/C18H22ClN3O2S.ClH/c1-10(21-17(23)15-12(3)24-9-8-20-15)16-11(2)22-18(25-16)13-4-6-14(19)7-5-13;/h4-7,10,12,15,20H,8-9H2,1-3H3,(H,21,23);1H/t10?,12-,15+;/m1./s1
InChIKeySIGJVDWVZQGWDP-VCMBQFCASA-N
MW416.37 g/mol
LogP3.75
Rot. Bonds4

About (2R,3S)-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120931705) has the molecular formula C18H23Cl2N3O2S and a molecular weight of 416.37 g/mol. Its IUPAC name is (2R,3S)-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120931705
Molecular FormulaC18H23Cl2N3O2S
Molecular Weight416.37 g/mol
Exact Mass415.09
IUPAC Name(2R,3S)-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCc1nc(-c2ccc(Cl)cc2)sc1C(C)NC(=O)[C@H]1NCCO[C@@H]1C.Cl
InChIInChI=1S/C18H22ClN3O2S.ClH/c1-10(21-17(23)15-12(3)24-9-8-20-15)16-11(2)22-18(25-16)13-4-6-14(19)7-5-13;/h4-7,10,12,15,20H,8-9H2,1-3H3,(H,21,23);1H/t10?,12-,15+;/m1./s1
InChIKeySIGJVDWVZQGWDP-VCMBQFCASA-N
XLogP3.75
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.37
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119184523
N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-1,3-thiazolidine-4-carboxamide
CID 119320634
N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]morpholine-3-carboxamide;hydrochloride
CID 119779753
N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119776825
N-[1-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide
CID 119321360
(2S)-2-amino-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propanamide
CID 119320638
N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119778547
(2R,3S)-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]morpholine-3-carboxamide
CID 120918965
N-[1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]piperidine-4-carboxamide
CID 119319611
(2R,3S)-N-[1-(1-benzothiophen-2-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120931572
(2S,4S)-N-[1-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120633300
1-[(1R)-1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-(2-hydroxyethyl)urea
CID 95759999

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120931705) is (2R,3S)-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride is Cc1nc(-c2ccc(Cl)cc2)sc1C(C)NC(=O)[C@H]1NCCO[C@@H]1C.Cl.
What is the InChIKey of (2R,3S)-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is SIGJVDWVZQGWDP-VCMBQFCASA-N. The full InChI is InChI=1S/C18H22ClN3O2S.ClH/c1-10(21-17(23)15-12(3)24-9-8-20-15)16-11(2)22-18(25-16)13-4-6-14(19)7-5-13;/h4-7,10,12,15,20H,8-9H2,1-3H3,(H,21,23);1H/t10?,12-,15+;/m1./s1.
What are the key properties of (2R,3S)-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 416.37 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[1-[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120931705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).