2-[4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]morpholin-2-yl]acetic acid

C13H19N3O4S — CID 66433341

IUPAC2-[4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]morpholin-2-yl]acetic acid
SMILESCc1ncsc1CN(C)C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C13H19N3O4S/c1-9-11(21-8-14-9)7-15(2)13(19)16-3-4-20-10(6-16)5-12(17)18/h8,10H,3-7H2,1-2H3,(H,17,18)
InChIKeyZTJOTZZNKRTTIG-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.18
Rot. Bonds4

About 2-[4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]morpholin-2-yl]acetic acid

2-[4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]morpholin-2-yl]acetic acid (PubChem CID 66433341) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-[4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]morpholin-2-yl]acetic acid
PubChem CID66433341
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name2-[4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]morpholin-2-yl]acetic acid
SMILESCc1ncsc1CN(C)C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C13H19N3O4S/c1-9-11(21-8-14-9)7-15(2)13(19)16-3-4-20-10(6-16)5-12(17)18/h8,10H,3-7H2,1-2H3,(H,17,18)
InChIKeyZTJOTZZNKRTTIG-UHFFFAOYSA-N
XLogP1.18
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboxamide
CID 116656098
2-[4-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]morpholin-2-yl]acetic acid
CID 66435031
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63821575
2-[4-(diethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435597
2-[(2S)-4-(3-methyl-1,2-thiazole-4-carbonyl)morpholin-2-yl]acetic acid
CID 129401273
2-[4-[methyl(pyridin-3-yl)carbamoyl]morpholin-2-yl]acetic acid
CID 66435865
3-(4-methyl-1,3-thiazol-5-yl)-1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 25382249
2-[(2S)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)morpholin-2-yl]acetic acid
CID 124515375
2-[4-(4-methylthiadiazole-5-carbonyl)morpholin-2-yl]acetic acid
CID 66420176
(2S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-phenylethyl)morpholine-4-carboxamide
CID 97353311
2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-methylamino]acetic acid
CID 81204430
2-[(2S)-4-(3-propan-2-ylthiophene-2-carbonyl)morpholin-2-yl]acetic acid
CID 124682778

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]morpholin-2-yl]acetic acid (CID 66433341) is 2-[4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]morpholin-2-yl]acetic acid is Cc1ncsc1CN(C)C(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]morpholin-2-yl]acetic acid?
The InChIKey is ZTJOTZZNKRTTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-9-11(21-8-14-9)7-15(2)13(19)16-3-4-20-10(6-16)5-12(17)18/h8,10H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]morpholin-2-yl]acetic acid?
2-[4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]morpholin-2-yl]acetic acid has a molecular weight of 313.38 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 66433341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).