1-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]ethyl]-3-(5-methoxy-1,3-thiazol-2-yl)urea

C15H16N4O4S — CID 171359661

IUPAC1-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]ethyl]-3-(5-methoxy-1,3-thiazol-2-yl)urea
SMILESCOc1cnc(NC(=O)NCC[C@@]2(O)C(=O)Nc3ccccc32)s1
InChIInChI=1S/C15H16N4O4S/c1-23-11-8-17-14(24-11)19-13(21)16-7-6-15(22)9-4-2-3-5-10(9)18-12(15)20/h2-5,8,22H,6-7H2,1H3,(H,18,20)(H2,16,17,19,21)/t15-/m0/s1
InChIKeyJILCOBLJDZUQMR-HNNXBMFYSA-N
MW348.38 g/mol
LogP1.50
Rot. Bonds5

About 1-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]ethyl]-3-(5-methoxy-1,3-thiazol-2-yl)urea

1-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]ethyl]-3-(5-methoxy-1,3-thiazol-2-yl)urea (PubChem CID 171359661) has the molecular formula C15H16N4O4S and a molecular weight of 348.38 g/mol. Its IUPAC name is 1-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]ethyl]-3-(5-methoxy-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]ethyl]-3-(5-methoxy-1,3-thiazol-2-yl)urea
PubChem CID171359661
Molecular FormulaC15H16N4O4S
Molecular Weight348.38 g/mol
Exact Mass348.09
IUPAC Name1-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]ethyl]-3-(5-methoxy-1,3-thiazol-2-yl)urea
SMILESCOc1cnc(NC(=O)NCC[C@@]2(O)C(=O)Nc3ccccc32)s1
InChIInChI=1S/C15H16N4O4S/c1-23-11-8-17-14(24-11)19-13(21)16-7-6-15(22)9-4-2-3-5-10(9)18-12(15)20/h2-5,8,22H,6-7H2,1H3,(H,18,20)(H2,16,17,19,21)/t15-/m0/s1
InChIKeyJILCOBLJDZUQMR-HNNXBMFYSA-N
XLogP1.50
TPSA112.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]ethyl]-3-(5-methoxy-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]ethyl]-3-(5-methoxy-1,3-thiazol-2-yl)urea (CID 171359661) is 1-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]ethyl]-3-(5-methoxy-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]ethyl]-3-(5-methoxy-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]ethyl]-3-(5-methoxy-1,3-thiazol-2-yl)urea is COc1cnc(NC(=O)NCC[C@@]2(O)C(=O)Nc3ccccc32)s1.
What is the InChIKey of 1-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]ethyl]-3-(5-methoxy-1,3-thiazol-2-yl)urea?
The InChIKey is JILCOBLJDZUQMR-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16N4O4S/c1-23-11-8-17-14(24-11)19-13(21)16-7-6-15(22)9-4-2-3-5-10(9)18-12(15)20/h2-5,8,22H,6-7H2,1H3,(H,18,20)(H2,16,17,19,21)/t15-/m0/s1.
What are the key properties of 1-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]ethyl]-3-(5-methoxy-1,3-thiazol-2-yl)urea?
1-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]ethyl]-3-(5-methoxy-1,3-thiazol-2-yl)urea has a molecular weight of 348.38 g/mol, XLogP of 1.50, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S)-3-hydroxy-2-oxo-1H-indol-3-yl]ethyl]-3-(5-methoxy-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 171359661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).