5-bromo-2-morpholin-4-yl-1,3-thiazole-4-carboxylic acid

C8H9BrN2O3S — CID 154878988

IUPAC5-bromo-2-morpholin-4-yl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1nc(N2CCOCC2)sc1Br
InChIInChI=1S/C8H9BrN2O3S/c9-6-5(7(12)13)10-8(15-6)11-1-3-14-4-2-11/h1-4H2,(H,12,13)
InChIKeyHPWNBUSXAMCSKX-UHFFFAOYSA-N
MW293.14 g/mol
LogP1.44
Rot. Bonds2

About 5-bromo-2-morpholin-4-yl-1,3-thiazole-4-carboxylic acid

5-bromo-2-morpholin-4-yl-1,3-thiazole-4-carboxylic acid (PubChem CID 154878988) has the molecular formula C8H9BrN2O3S and a molecular weight of 293.14 g/mol. Its IUPAC name is 5-bromo-2-morpholin-4-yl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-bromo-2-morpholin-4-yl-1,3-thiazole-4-carboxylic acid
PubChem CID154878988
Molecular FormulaC8H9BrN2O3S
Molecular Weight293.14 g/mol
Exact Mass291.95
IUPAC Name5-bromo-2-morpholin-4-yl-1,3-thiazole-4-carboxylic acid
SMILESO=C(O)c1nc(N2CCOCC2)sc1Br
InChIInChI=1S/C8H9BrN2O3S/c9-6-5(7(12)13)10-8(15-6)11-1-3-14-4-2-11/h1-4H2,(H,12,13)
InChIKeyHPWNBUSXAMCSKX-UHFFFAOYSA-N
XLogP1.44
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.14
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
CID 154487330
2,6-dimorpholin-4-yl-1,3,5-thiadiazin-4-one
CID 15063236
4-tert-butyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
CID 62764238
1-(2-acetyl-5-morpholin-4-yl-1,3-thiazol-4-yl)ethanone
CID 126498020
4-(3-bromo-1,2,4-thiadiazol-5-yl)morpholine
CID 66634232
3-(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid
CID 82431077
(E)-3-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)prop-2-enoic acid
CID 82439737
2-(2-morpholin-4-yl-1,3-thiazol-5-yl)acetic acid
CID 82374896
3-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid
CID 82439738
3-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid
CID 82438113
2-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]acetic acid
CID 82441955
4-amino-N-(2-amino-2-oxoethyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116667829

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-morpholin-4-yl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-bromo-2-morpholin-4-yl-1,3-thiazole-4-carboxylic acid (CID 154878988) is 5-bromo-2-morpholin-4-yl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-bromo-2-morpholin-4-yl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-bromo-2-morpholin-4-yl-1,3-thiazole-4-carboxylic acid is O=C(O)c1nc(N2CCOCC2)sc1Br.
What is the InChIKey of 5-bromo-2-morpholin-4-yl-1,3-thiazole-4-carboxylic acid?
The InChIKey is HPWNBUSXAMCSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O3S/c9-6-5(7(12)13)10-8(15-6)11-1-3-14-4-2-11/h1-4H2,(H,12,13).
What are the key properties of 5-bromo-2-morpholin-4-yl-1,3-thiazole-4-carboxylic acid?
5-bromo-2-morpholin-4-yl-1,3-thiazole-4-carboxylic acid has a molecular weight of 293.14 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-morpholin-4-yl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 154878988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).