5-ethyl-2-[3-morpholin-4-ylpropyl(thiophene-2-carbonyl)amino]-1,3-thiazole-4-carboxylic acid

C18H23N3O4S2 — CID 71111198

IUPAC5-ethyl-2-[3-morpholin-4-ylpropyl(thiophene-2-carbonyl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCCc1sc(N(CCCN2CCOCC2)C(=O)c2cccs2)nc1C(=O)O
InChIInChI=1S/C18H23N3O4S2/c1-2-13-15(17(23)24)19-18(27-13)21(16(22)14-5-3-12-26-14)7-4-6-20-8-10-25-11-9-20/h3,5,12H,2,4,6-11H2,1H3,(H,23,24)
InChIKeyVGCUUYFQWQBYLY-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.83
Rot. Bonds8

About 5-ethyl-2-[3-morpholin-4-ylpropyl(thiophene-2-carbonyl)amino]-1,3-thiazole-4-carboxylic acid

5-ethyl-2-[3-morpholin-4-ylpropyl(thiophene-2-carbonyl)amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 71111198) has the molecular formula C18H23N3O4S2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 5-ethyl-2-[3-morpholin-4-ylpropyl(thiophene-2-carbonyl)amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-2-[3-morpholin-4-ylpropyl(thiophene-2-carbonyl)amino]-1,3-thiazole-4-carboxylic acid
PubChem CID71111198
Molecular FormulaC18H23N3O4S2
Molecular Weight409.53 g/mol
Exact Mass409.11
IUPAC Name5-ethyl-2-[3-morpholin-4-ylpropyl(thiophene-2-carbonyl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCCc1sc(N(CCCN2CCOCC2)C(=O)c2cccs2)nc1C(=O)O
InChIInChI=1S/C18H23N3O4S2/c1-2-13-15(17(23)24)19-18(27-13)21(16(22)14-5-3-12-26-14)7-4-6-20-8-10-25-11-9-20/h3,5,12H,2,4,6-11H2,1H3,(H,23,24)
InChIKeyVGCUUYFQWQBYLY-UHFFFAOYSA-N
XLogP2.83
TPSA82.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-ethyl-2-[3-morpholin-4-ylpropyl(thiophene-2-carbonyl)amino]-1,3-thiazole-4-carboxylic acid with MolForge

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Related Compounds

N-(5,7-dimethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide;hydrochloride
CID 18581843
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 18583398
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 7622925
N-(4-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)-2-thiophen-2-ylacetamide
CID 30515963
N-(6-fluoro-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 7622720
N-(5-methoxy-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 7622510
N-(3-morpholin-4-ylpropyl)-N-[4-(3-oxo-1-benzofuran-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 71111873
N-(3-morpholin-4-ylpropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
CID 42701086
5-chloro-N-(4-ethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 29069264
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 29072776
4-benzoyl-N-(6-ethyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43998855
5-chloro-N-(6-methyl-1,3-benzothiazol-2-yl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 29070280

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[3-morpholin-4-ylpropyl(thiophene-2-carbonyl)amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-ethyl-2-[3-morpholin-4-ylpropyl(thiophene-2-carbonyl)amino]-1,3-thiazole-4-carboxylic acid (CID 71111198) is 5-ethyl-2-[3-morpholin-4-ylpropyl(thiophene-2-carbonyl)amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-ethyl-2-[3-morpholin-4-ylpropyl(thiophene-2-carbonyl)amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-ethyl-2-[3-morpholin-4-ylpropyl(thiophene-2-carbonyl)amino]-1,3-thiazole-4-carboxylic acid is CCc1sc(N(CCCN2CCOCC2)C(=O)c2cccs2)nc1C(=O)O.
What is the InChIKey of 5-ethyl-2-[3-morpholin-4-ylpropyl(thiophene-2-carbonyl)amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is VGCUUYFQWQBYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S2/c1-2-13-15(17(23)24)19-18(27-13)21(16(22)14-5-3-12-26-14)7-4-6-20-8-10-25-11-9-20/h3,5,12H,2,4,6-11H2,1H3,(H,23,24).
What are the key properties of 5-ethyl-2-[3-morpholin-4-ylpropyl(thiophene-2-carbonyl)amino]-1,3-thiazole-4-carboxylic acid?
5-ethyl-2-[3-morpholin-4-ylpropyl(thiophene-2-carbonyl)amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 409.53 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[3-morpholin-4-ylpropyl(thiophene-2-carbonyl)amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 71111198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).