(2R,3S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylmorpholine-3-carboxamide;hydrochloride

C11H18ClN3O2S — CID 120936021

IUPAC(2R,3S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCc1nc(C)c(NC(=O)[C@H]2NCCO[C@@H]2C)s1.Cl
InChIInChI=1S/C11H17N3O2S.ClH/c1-6-11(17-8(3)13-6)14-10(15)9-7(2)16-5-4-12-9;/h7,9,12H,4-5H2,1-3H3,(H,14,15);1H/t7-,9+;/m1./s1
InChIKeyWDKMWSDPOPMCTL-JXLXBRSFSA-N
MW291.80 g/mol
LogP1.50
Rot. Bonds2

About (2R,3S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120936021) has the molecular formula C11H18ClN3O2S and a molecular weight of 291.80 g/mol. Its IUPAC name is (2R,3S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120936021
Molecular FormulaC11H18ClN3O2S
Molecular Weight291.80 g/mol
Exact Mass291.08
IUPAC Name(2R,3S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCc1nc(C)c(NC(=O)[C@H]2NCCO[C@@H]2C)s1.Cl
InChIInChI=1S/C11H17N3O2S.ClH/c1-6-11(17-8(3)13-6)14-10(15)9-7(2)16-5-4-12-9;/h7,9,12H,4-5H2,1-3H3,(H,14,15);1H/t7-,9+;/m1./s1
InChIKeyWDKMWSDPOPMCTL-JXLXBRSFSA-N
XLogP1.50
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.80
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120936021) is (2R,3S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylmorpholine-3-carboxamide;hydrochloride is Cc1nc(C)c(NC(=O)[C@H]2NCCO[C@@H]2C)s1.Cl.
What is the InChIKey of (2R,3S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is WDKMWSDPOPMCTL-JXLXBRSFSA-N. The full InChI is InChI=1S/C11H17N3O2S.ClH/c1-6-11(17-8(3)13-6)14-10(15)9-7(2)16-5-4-12-9;/h7,9,12H,4-5H2,1-3H3,(H,14,15);1H/t7-,9+;/m1./s1.
What are the key properties of (2R,3S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 291.80 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120936021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).