(2R,3S)-2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]morpholine-3-carboxamide;hydrochloride

C16H21ClN4O2S — CID 120931862

IUPAC(2R,3S)-2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]morpholine-3-carboxamide;hydrochloride
SMILESCc1csc(Nc2ccc(NC(=O)[C@H]3NCCO[C@@H]3C)cc2)n1.Cl
InChIInChI=1S/C16H20N4O2S.ClH/c1-10-9-23-16(18-10)20-13-5-3-12(4-6-13)19-15(21)14-11(2)22-8-7-17-14;/h3-6,9,11,14,17H,7-8H2,1-2H3,(H,18,20)(H,19,21);1H/t11-,14+;/m1./s1
InChIKeyPOEMGBSTUZBZHF-GGMFNZDASA-N
MW368.89 g/mol
LogP2.93
Rot. Bonds4

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

(2R,3S)-2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 120931862) has the molecular formula C16H21ClN4O2S and a molecular weight of 368.89 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]morpholine-3-carboxamide;hydrochloride
PubChem CID120931862
Molecular FormulaC16H21ClN4O2S
Molecular Weight368.89 g/mol
Exact Mass368.11
IUPAC Name(2R,3S)-2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]morpholine-3-carboxamide;hydrochloride
SMILESCc1csc(Nc2ccc(NC(=O)[C@H]3NCCO[C@@H]3C)cc2)n1.Cl
InChIInChI=1S/C16H20N4O2S.ClH/c1-10-9-23-16(18-10)20-13-5-3-12(4-6-13)19-15(21)14-11(2)22-8-7-17-14;/h3-6,9,11,14,17H,7-8H2,1-2H3,(H,18,20)(H,19,21);1H/t11-,14+;/m1./s1
InChIKeyPOEMGBSTUZBZHF-GGMFNZDASA-N
XLogP2.93
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.89
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,3S)-2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]morpholine-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-2-methyl-N-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120929298
(2R,3S)-2-methyl-N-[4-(thiadiazol-4-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120924476
(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide
CID 120916743
(2R,3S)-N-(4-iodophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917297
(2R,3S)-2-methyl-N-(2-methylimidazo[1,2-a]pyridin-6-yl)morpholine-3-carboxamide
CID 120940913
(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide
CID 120926510
(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]morpholine-3-carboxamide
CID 120921411
(2R,3S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120920522
(2R,3S)-2-methyl-N-[4-(trifluoromethoxy)phenyl]morpholine-3-carboxamide
CID 120917325
2-hydroxy-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]cyclopentane-1-carboxamide
CID 110015743
(2R,3S)-2-methyl-N-[3-(4-methyl-1,3-oxazol-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120935775
(2R,3S)-N-[4-(difluoromethoxy)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917827

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]morpholine-3-carboxamide;hydrochloride (CID 120931862) is (2R,3S)-2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]morpholine-3-carboxamide;hydrochloride is Cc1csc(Nc2ccc(NC(=O)[C@H]3NCCO[C@@H]3C)cc2)n1.Cl.
What is the InChIKey of (2R,3S)-2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is POEMGBSTUZBZHF-GGMFNZDASA-N. The full InChI is InChI=1S/C16H20N4O2S.ClH/c1-10-9-23-16(18-10)20-13-5-3-12(4-6-13)19-15(21)14-11(2)22-8-7-17-14;/h3-6,9,11,14,17H,7-8H2,1-2H3,(H,18,20)(H,19,21);1H/t11-,14+;/m1./s1.
What are the key properties of (2R,3S)-2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]morpholine-3-carboxamide;hydrochloride?
(2R,3S)-2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 368.89 g/mol, XLogP of 2.93, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)amino]phenyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120931862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).