2-[2-(N-morpholin-4-ylanilino)-1,3-thiazol-4-yl]acetic acid

C15H17N3O3S — CID 91513676

IUPAC2-[2-(N-morpholin-4-ylanilino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(N(c2ccccc2)N2CCOCC2)n1
InChIInChI=1S/C15H17N3O3S/c19-14(20)10-12-11-22-15(16-12)18(13-4-2-1-3-5-13)17-6-8-21-9-7-17/h1-5,11H,6-10H2,(H,19,20)
InChIKeyKQSMAGWJGCXCQY-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.16
Rot. Bonds5

About 2-[2-(N-morpholin-4-ylanilino)-1,3-thiazol-4-yl]acetic acid

2-[2-(N-morpholin-4-ylanilino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 91513676) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-[2-(N-morpholin-4-ylanilino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(N-morpholin-4-ylanilino)-1,3-thiazol-4-yl]acetic acid
PubChem CID91513676
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name2-[2-(N-morpholin-4-ylanilino)-1,3-thiazol-4-yl]acetic acid
SMILESO=C(O)Cc1csc(N(c2ccccc2)N2CCOCC2)n1
InChIInChI=1S/C15H17N3O3S/c19-14(20)10-12-11-22-15(16-12)18(13-4-2-1-3-5-13)17-6-8-21-9-7-17/h1-5,11H,6-10H2,(H,19,20)
InChIKeyKQSMAGWJGCXCQY-UHFFFAOYSA-N
XLogP2.16
TPSA65.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[2-(2-morpholin-4-ylethoxy)naphthalen-1-yl]-1,3-thiazol-4-yl]acetic acid
CID 20984124
2-[2-(3-morpholin-4-ylpropylamino)-1,3-thiazol-4-yl]acetic acid
CID 80575536
2-[2-(2-aminophenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 82548145
1-morpholin-4-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 33236750
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
2-[2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 80576870
8-(N-morpholin-4-ylanilino)imidazo[1,2-a]pyrazine-5-carboxylic acid
CID 91311087
2-[2-[2-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 39159599
2-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(2-morpholin-4-yl-1-phenylethyl)acetamide
CID 167790337
2-[2-[4-[[benzyl(methyl)amino]methyl]phenyl]-1,3-thiazol-4-yl]acetic acid
CID 39159753
[2-[morpholin-4-yl(phenyl)methyl]-1,3-thiazol-4-yl]methanamine
CID 84750452
1-(N-morpholin-4-ylanilino)hexan-2-one
CID 174985983

Frequently Asked Questions

What is the IUPAC name of 2-[2-(N-morpholin-4-ylanilino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(N-morpholin-4-ylanilino)-1,3-thiazol-4-yl]acetic acid (CID 91513676) is 2-[2-(N-morpholin-4-ylanilino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(N-morpholin-4-ylanilino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(N-morpholin-4-ylanilino)-1,3-thiazol-4-yl]acetic acid is O=C(O)Cc1csc(N(c2ccccc2)N2CCOCC2)n1.
What is the InChIKey of 2-[2-(N-morpholin-4-ylanilino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is KQSMAGWJGCXCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c19-14(20)10-12-11-22-15(16-12)18(13-4-2-1-3-5-13)17-6-8-21-9-7-17/h1-5,11H,6-10H2,(H,19,20).
What are the key properties of 2-[2-(N-morpholin-4-ylanilino)-1,3-thiazol-4-yl]acetic acid?
2-[2-(N-morpholin-4-ylanilino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 319.39 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(N-morpholin-4-ylanilino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 91513676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).