(2R,3S)-N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride

C19H25ClN4O3S — CID 120919340

IUPAC(2R,3S)-N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCC(=O)NCCc1ccc(-c2csc(NC(=O)[C@H]3NCCO[C@@H]3C)n2)cc1.Cl
InChIInChI=1S/C19H24N4O3S.ClH/c1-12-17(21-9-10-26-12)18(25)23-19-22-16(11-27-19)15-5-3-14(4-6-15)7-8-20-13(2)24;/h3-6,11-12,17,21H,7-10H2,1-2H3,(H,20,24)(H,22,23,25);1H/t12-,17+;/m1./s1
InChIKeyGYRMTQROZYPZCO-KELGLJHESA-N
MW424.95 g/mol
LogP2.23
Rot. Bonds6

About (2R,3S)-N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120919340) has the molecular formula C19H25ClN4O3S and a molecular weight of 424.95 g/mol. Its IUPAC name is (2R,3S)-N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120919340
Molecular FormulaC19H25ClN4O3S
Molecular Weight424.95 g/mol
Exact Mass424.13
IUPAC Name(2R,3S)-N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCC(=O)NCCc1ccc(-c2csc(NC(=O)[C@H]3NCCO[C@@H]3C)n2)cc1.Cl
InChIInChI=1S/C19H24N4O3S.ClH/c1-12-17(21-9-10-26-12)18(25)23-19-22-16(11-27-19)15-5-3-14(4-6-15)7-8-20-13(2)24;/h3-6,11-12,17,21H,7-10H2,1-2H3,(H,20,24)(H,22,23,25);1H/t12-,17+;/m1./s1
InChIKeyGYRMTQROZYPZCO-KELGLJHESA-N
XLogP2.23
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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

What is the IUPAC name of (2R,3S)-N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120919340) is (2R,3S)-N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride is CC(=O)NCCc1ccc(-c2csc(NC(=O)[C@H]3NCCO[C@@H]3C)n2)cc1.Cl.
What is the InChIKey of (2R,3S)-N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is GYRMTQROZYPZCO-KELGLJHESA-N. The full InChI is InChI=1S/C19H24N4O3S.ClH/c1-12-17(21-9-10-26-12)18(25)23-19-22-16(11-27-19)15-5-3-14(4-6-15)7-8-20-13(2)24;/h3-6,11-12,17,21H,7-10H2,1-2H3,(H,20,24)(H,22,23,25);1H/t12-,17+;/m1./s1.
What are the key properties of (2R,3S)-N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 424.95 g/mol, XLogP of 2.23, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[4-[4-(2-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120919340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).