1-ethyl-5-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]indole-3-carboxylic acid

C19H21N3O3S — CID 156805892

IUPAC1-ethyl-5-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]indole-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c2cc(-c3nc(CN4CCOCC4)cs3)ccc21
InChIInChI=1S/C19H21N3O3S/c1-2-22-11-16(19(23)24)15-9-13(3-4-17(15)22)18-20-14(12-26-18)10-21-5-7-25-8-6-21/h3-4,9,11-12H,2,5-8,10H2,1H3,(H,23,24)
InChIKeyAITCXJSYWOZHHN-UHFFFAOYSA-N
MW371.46 g/mol
LogP3.32
Rot. Bonds5

About 1-ethyl-5-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]indole-3-carboxylic acid

1-ethyl-5-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]indole-3-carboxylic acid (PubChem CID 156805892) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 1-ethyl-5-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]indole-3-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-5-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]indole-3-carboxylic acid
PubChem CID156805892
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name1-ethyl-5-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]indole-3-carboxylic acid
SMILESCCn1cc(C(=O)O)c2cc(-c3nc(CN4CCOCC4)cs3)ccc21
InChIInChI=1S/C19H21N3O3S/c1-2-22-11-16(19(23)24)15-9-13(3-4-17(15)22)18-20-14(12-26-18)10-21-5-7-25-8-6-21/h3-4,9,11-12H,2,5-8,10H2,1H3,(H,23,24)
InChIKeyAITCXJSYWOZHHN-UHFFFAOYSA-N
XLogP3.32
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]indole-3-carboxylic acid?
The IUPAC name of 1-ethyl-5-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]indole-3-carboxylic acid (CID 156805892) is 1-ethyl-5-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]indole-3-carboxylic acid.
What is the SMILES notation for 1-ethyl-5-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]indole-3-carboxylic acid?
The canonical SMILES for 1-ethyl-5-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]indole-3-carboxylic acid is CCn1cc(C(=O)O)c2cc(-c3nc(CN4CCOCC4)cs3)ccc21.
What is the InChIKey of 1-ethyl-5-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]indole-3-carboxylic acid?
The InChIKey is AITCXJSYWOZHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-2-22-11-16(19(23)24)15-9-13(3-4-17(15)22)18-20-14(12-26-18)10-21-5-7-25-8-6-21/h3-4,9,11-12H,2,5-8,10H2,1H3,(H,23,24).
What are the key properties of 1-ethyl-5-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]indole-3-carboxylic acid?
1-ethyl-5-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]indole-3-carboxylic acid has a molecular weight of 371.46 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]indole-3-carboxylic acid is sourced from PubChem (CID 156805892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).