2-(4-morpholin-4-ylanilino)-1,3-thiazole-5-carboxylic acid

C14H15N3O3S — CID 80571818

IUPAC2-(4-morpholin-4-ylanilino)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(Nc2ccc(N3CCOCC3)cc2)s1
InChIInChI=1S/C14H15N3O3S/c18-13(19)12-9-15-14(21-12)16-10-1-3-11(4-2-10)17-5-7-20-8-6-17/h1-4,9H,5-8H2,(H,15,16)(H,18,19)
InChIKeyJKVOCJFFGBBDSA-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.42
Rot. Bonds4

About 2-(4-morpholin-4-ylanilino)-1,3-thiazole-5-carboxylic acid

2-(4-morpholin-4-ylanilino)-1,3-thiazole-5-carboxylic acid (PubChem CID 80571818) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylanilino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-morpholin-4-ylanilino)-1,3-thiazole-5-carboxylic acid
PubChem CID80571818
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-(4-morpholin-4-ylanilino)-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(Nc2ccc(N3CCOCC3)cc2)s1
InChIInChI=1S/C14H15N3O3S/c18-13(19)12-9-15-14(21-12)16-10-1-3-11(4-2-10)17-5-7-20-8-6-17/h1-4,9H,5-8H2,(H,15,16)(H,18,19)
InChIKeyJKVOCJFFGBBDSA-UHFFFAOYSA-N
XLogP2.42
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-morpholin-4-ylphenyl)-2-(pyridin-4-ylamino)-1,3-thiazole-5-carboxamide
CID 117084517
2-(methylamino)-N-(4-morpholin-4-ylphenyl)-1,3-thiazole-5-carboxamide
CID 75435971
5-bromo-N-(4-morpholin-4-ylphenyl)-1,3,4-thiadiazol-2-amine
CID 64624123
2-(3,4-dichloroanilino)-1,3-thiazole-5-carboxylic acid
CID 80572321
4-morpholin-4-yl-N-phenylaniline
CID 159018746
2-(pyridin-3-ylamino)-1,3-thiazole-5-carboxylic acid
CID 80570815
2-(1,4-oxazepan-4-yl)-1,3-thiazole-5-carboxylic acid
CID 62968494
2-[(6-methoxy-3-pyridinyl)amino]-1,3-thiazole-5-carboxylic acid
CID 80571966
2-(3,5-dimethylanilino)-1,3-thiazole-5-carboxylic acid
CID 80571652
4-morpholin-4-yl-N-[4-[4-[(4-morpholin-4-ylbenzoyl)amino]anilino]phenyl]benzamide
CID 67686927
4-[2-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrimidin-4-yl]piperazine-1-carboxamide
CID 175343864
5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]thiophene-2-carboxamide
CID 57400976

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylanilino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(4-morpholin-4-ylanilino)-1,3-thiazole-5-carboxylic acid (CID 80571818) is 2-(4-morpholin-4-ylanilino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-morpholin-4-ylanilino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(4-morpholin-4-ylanilino)-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(Nc2ccc(N3CCOCC3)cc2)s1.
What is the InChIKey of 2-(4-morpholin-4-ylanilino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is JKVOCJFFGBBDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c18-13(19)12-9-15-14(21-12)16-10-1-3-11(4-2-10)17-5-7-20-8-6-17/h1-4,9H,5-8H2,(H,15,16)(H,18,19).
What are the key properties of 2-(4-morpholin-4-ylanilino)-1,3-thiazole-5-carboxylic acid?
2-(4-morpholin-4-ylanilino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylanilino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80571818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).