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

C18H25N3O4S2 — CID 71111197

IUPAC2-ethyl-2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-3H-1,3-thiazole-4-carboxylic acid
SMILESCCC1(NC(=O)c2sccc2CCCN2CCOCC2)NC(C(=O)O)=CS1
InChIInChI=1S/C18H25N3O4S2/c1-2-18(19-14(12-27-18)17(23)24)20-16(22)15-13(5-11-26-15)4-3-6-21-7-9-25-10-8-21/h5,11-12,19H,2-4,6-10H2,1H3,(H,20,22)(H,23,24)
InChIKeyCLDKKUWNHBDKJR-UHFFFAOYSA-N
MW411.55 g/mol
LogP2.07
Rot. Bonds8

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

2-ethyl-2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-3H-1,3-thiazole-4-carboxylic acid (PubChem CID 71111197) has the molecular formula C18H25N3O4S2 and a molecular weight of 411.55 g/mol. Its IUPAC name is 2-ethyl-2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-3H-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-3H-1,3-thiazole-4-carboxylic acid
PubChem CID71111197
Molecular FormulaC18H25N3O4S2
Molecular Weight411.55 g/mol
Exact Mass411.13
IUPAC Name2-ethyl-2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-3H-1,3-thiazole-4-carboxylic acid
SMILESCCC1(NC(=O)c2sccc2CCCN2CCOCC2)NC(C(=O)O)=CS1
InChIInChI=1S/C18H25N3O4S2/c1-2-18(19-14(12-27-18)17(23)24)20-16(22)15-13(5-11-26-15)4-3-6-21-7-9-25-10-8-21/h5,11-12,19H,2-4,6-10H2,1H3,(H,20,22)(H,23,24)
InChIKeyCLDKKUWNHBDKJR-UHFFFAOYSA-N
XLogP2.07
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 68502987
ethyl 5-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
CID 87441731
3-(3-aminoprop-1-ynyl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 63801611
2-[3-[2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazol-4-yl]phenoxy]acetic acid
CID 87440950
3-(3-hydroxyprop-1-ynyl)-N-(3-morpholin-4-ylpropyl)thiophene-2-carboxamide
CID 63796233
N-(3-carbamoylphenyl)-2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-1,3-thiazole-4-carboxamide
CID 87441462
N-[(3-ethylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 113411502
3-(4-morpholin-4-ylbutan-2-yloxy)thiophene-2-carboxylic acid
CID 82037741
N-(2-morpholin-4-ylethyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 158455560
4-[2-(3-morpholin-4-ylpropyl)phenyl]-1-phenylbutan-1-one
CID 54071748
1-[5-(3-morpholin-4-ylpropyl)furan-2-yl]ethanone
CID 162740835
N,N-diethyl-3-methyl-4-(3-morpholin-4-ylpropyl)aniline
CID 170870635

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-3H-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-ethyl-2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-3H-1,3-thiazole-4-carboxylic acid (CID 71111197) is 2-ethyl-2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-3H-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-ethyl-2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-3H-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-ethyl-2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-3H-1,3-thiazole-4-carboxylic acid is CCC1(NC(=O)c2sccc2CCCN2CCOCC2)NC(C(=O)O)=CS1.
What is the InChIKey of 2-ethyl-2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-3H-1,3-thiazole-4-carboxylic acid?
The InChIKey is CLDKKUWNHBDKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4S2/c1-2-18(19-14(12-27-18)17(23)24)20-16(22)15-13(5-11-26-15)4-3-6-21-7-9-25-10-8-21/h5,11-12,19H,2-4,6-10H2,1H3,(H,20,22)(H,23,24).
What are the key properties of 2-ethyl-2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-3H-1,3-thiazole-4-carboxylic acid?
2-ethyl-2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-3H-1,3-thiazole-4-carboxylic acid has a molecular weight of 411.55 g/mol, XLogP of 2.07, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[[3-(3-morpholin-4-ylpropyl)thiophene-2-carbonyl]amino]-3H-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 71111197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).