(3R)-4-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid

C14H13ClN2O4S2 — CID 125152105

IUPAC(3R)-4-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid
SMILESCc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCOC[C@@H]1C(=O)O
InChIInChI=1S/C14H13ClN2O4S2/c1-7-11(23-12(16-7)9-2-3-10(15)22-9)13(18)17-4-5-21-6-8(17)14(19)20/h2-3,8H,4-6H2,1H3,(H,19,20)/t8-/m1/s1
InChIKeyMZJXFURCKMAKHO-MRVPVSSYSA-N
MW372.86 g/mol
LogP2.76
Rot. Bonds3

About (3R)-4-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid

(3R)-4-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid (PubChem CID 125152105) has the molecular formula C14H13ClN2O4S2 and a molecular weight of 372.86 g/mol. Its IUPAC name is (3R)-4-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid
PubChem CID125152105
Molecular FormulaC14H13ClN2O4S2
Molecular Weight372.86 g/mol
Exact Mass372.00
IUPAC Name(3R)-4-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid
SMILESCc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCOC[C@@H]1C(=O)O
InChIInChI=1S/C14H13ClN2O4S2/c1-7-11(23-12(16-7)9-2-3-10(15)22-9)13(18)17-4-5-21-6-8(17)14(19)20/h2-3,8H,4-6H2,1H3,(H,19,20)/t8-/m1/s1
InChIKeyMZJXFURCKMAKHO-MRVPVSSYSA-N
XLogP2.76
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-4-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid with MolForge

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Related Compounds

4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid
CID 119215888
(3R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid
CID 125150119
(3S)-4-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid
CID 125150261
(3S)-4-(5-chlorothiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513737
(3R)-4-[2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid
CID 125119514
[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazol-5-yl]-(2-methylpiperazin-1-yl)methanone
CID 119470707
1-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122118470
(3-methylmorpholin-4-yl)-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone
CID 110309752
(3S)-4-(3-methylthiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513592
(3S)-4-(3-methyl-1-benzothiophene-2-carbonyl)morpholine-3-carboxylic acid
CID 124513715
4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-methylmorpholine-3-carboxamide
CID 83097443
[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94095663

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid?
The IUPAC name of (3R)-4-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid (CID 125152105) is (3R)-4-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid.
What is the SMILES notation for (3R)-4-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid?
The canonical SMILES for (3R)-4-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid is Cc1nc(-c2ccc(Cl)s2)sc1C(=O)N1CCOC[C@@H]1C(=O)O.
What is the InChIKey of (3R)-4-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid?
The InChIKey is MZJXFURCKMAKHO-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H13ClN2O4S2/c1-7-11(23-12(16-7)9-2-3-10(15)22-9)13(18)17-4-5-21-6-8(17)14(19)20/h2-3,8H,4-6H2,1H3,(H,19,20)/t8-/m1/s1.
What are the key properties of (3R)-4-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid?
(3R)-4-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid has a molecular weight of 372.86 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 125152105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).