(6-hydroxy-1H-indol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone

C17H13N3O2S — CID 67809094

IUPAC(6-hydroxy-1H-indol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone
SMILESO=C(C1=CSC(c2cccnc2)N1)c1c[nH]c2cc(O)ccc12
InChIInChI=1S/C17H13N3O2S/c21-11-3-4-12-13(8-19-14(12)6-11)16(22)15-9-23-17(20-15)10-2-1-5-18-7-10/h1-9,17,19-21H
InChIKeyHIXUDSJVNVABDV-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.33
Rot. Bonds3

About (6-hydroxy-1H-indol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone

(6-hydroxy-1H-indol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone (PubChem CID 67809094) has the molecular formula C17H13N3O2S and a molecular weight of 323.38 g/mol. Its IUPAC name is (6-hydroxy-1H-indol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name(6-hydroxy-1H-indol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone
PubChem CID67809094
Molecular FormulaC17H13N3O2S
Molecular Weight323.38 g/mol
Exact Mass323.07
IUPAC Name(6-hydroxy-1H-indol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone
SMILESO=C(C1=CSC(c2cccnc2)N1)c1c[nH]c2cc(O)ccc12
InChIInChI=1S/C17H13N3O2S/c21-11-3-4-12-13(8-19-14(12)6-11)16(22)15-9-23-17(20-15)10-2-1-5-18-7-10/h1-9,17,19-21H
InChIKeyHIXUDSJVNVABDV-UHFFFAOYSA-N
XLogP3.33
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-1H-indol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone?
The IUPAC name of (6-hydroxy-1H-indol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone (CID 67809094) is (6-hydroxy-1H-indol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for (6-hydroxy-1H-indol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone?
The canonical SMILES for (6-hydroxy-1H-indol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone is O=C(C1=CSC(c2cccnc2)N1)c1c[nH]c2cc(O)ccc12.
What is the InChIKey of (6-hydroxy-1H-indol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone?
The InChIKey is HIXUDSJVNVABDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S/c21-11-3-4-12-13(8-19-14(12)6-11)16(22)15-9-23-17(20-15)10-2-1-5-18-7-10/h1-9,17,19-21H.
What are the key properties of (6-hydroxy-1H-indol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone?
(6-hydroxy-1H-indol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone has a molecular weight of 323.38 g/mol, XLogP of 3.33, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-1H-indol-3-yl)-(2-pyridin-3-yl-2,3-dihydro-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 67809094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).