1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)indole-2-carboxamide

C25H16ClN5O2S2 — CID 20801149

IUPAC1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)indole-2-carboxamide
SMILESO=C(Nc1nc(-c2cccnc2)cs1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1
InChIInChI=1S/C25H16ClN5O2S2/c26-23-8-7-22(35-23)21-11-17(30-33-21)13-31-19-6-2-1-4-15(19)10-20(31)24(32)29-25-28-18(14-34-25)16-5-3-9-27-12-16/h1-12,14H,13H2,(H,28,29,32)
InChIKeyCNSWKIVXGHMTPX-UHFFFAOYSA-N
MW518.02 g/mol
LogP6.83
Rot. Bonds6

About 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)indole-2-carboxamide

1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)indole-2-carboxamide (PubChem CID 20801149) has the molecular formula C25H16ClN5O2S2 and a molecular weight of 518.02 g/mol. Its IUPAC name is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)indole-2-carboxamide.

Molecular Properties

Compound Name1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)indole-2-carboxamide
PubChem CID20801149
Molecular FormulaC25H16ClN5O2S2
Molecular Weight518.02 g/mol
Exact Mass517.04
IUPAC Name1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)indole-2-carboxamide
SMILESO=C(Nc1nc(-c2cccnc2)cs1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1
InChIInChI=1S/C25H16ClN5O2S2/c26-23-8-7-22(35-23)21-11-17(30-33-21)13-31-19-6-2-1-4-15(19)10-20(31)24(32)29-25-28-18(14-34-25)16-5-3-9-27-12-16/h1-12,14H,13H2,(H,28,29,32)
InChIKeyCNSWKIVXGHMTPX-UHFFFAOYSA-N
XLogP6.83
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.02
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)indole-2-carboxamide?
The IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)indole-2-carboxamide (CID 20801149) is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)indole-2-carboxamide.
What is the SMILES notation for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)indole-2-carboxamide?
The canonical SMILES for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)indole-2-carboxamide is O=C(Nc1nc(-c2cccnc2)cs1)c1cc2ccccc2n1Cc1cc(-c2ccc(Cl)s2)on1.
What is the InChIKey of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)indole-2-carboxamide?
The InChIKey is CNSWKIVXGHMTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClN5O2S2/c26-23-8-7-22(35-23)21-11-17(30-33-21)13-31-19-6-2-1-4-15(19)10-20(31)24(32)29-25-28-18(14-34-25)16-5-3-9-27-12-16/h1-12,14H,13H2,(H,28,29,32).
What are the key properties of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)indole-2-carboxamide?
1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)indole-2-carboxamide has a molecular weight of 518.02 g/mol, XLogP of 6.83, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)indole-2-carboxamide is sourced from PubChem (CID 20801149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).