2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

C24H21N5O2S2 — CID 39768680

IUPAC2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESCc1noc(C)c1CSc1ncccc1C(=O)Nc1nc(-c2c(C)[nH]c3ccccc23)cs1
InChIInChI=1S/C24H21N5O2S2/c1-13-18(15(3)31-29-13)11-32-23-17(8-6-10-25-23)22(30)28-24-27-20(12-33-24)21-14(2)26-19-9-5-4-7-16(19)21/h4-10,12,26H,11H2,1-3H3,(H,27,28,30)
InChIKeyMFWWFLNOOPBCHK-UHFFFAOYSA-N
MW475.60 g/mol
LogP6.14
Rot. Bonds6

About 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 39768680) has the molecular formula C24H21N5O2S2 and a molecular weight of 475.60 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
PubChem CID39768680
Molecular FormulaC24H21N5O2S2
Molecular Weight475.60 g/mol
Exact Mass475.11
IUPAC Name2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
SMILESCc1noc(C)c1CSc1ncccc1C(=O)Nc1nc(-c2c(C)[nH]c3ccccc23)cs1
InChIInChI=1S/C24H21N5O2S2/c1-13-18(15(3)31-29-13)11-32-23-17(8-6-10-25-23)22(30)28-24-27-20(12-33-24)21-14(2)26-19-9-5-4-7-16(19)21/h4-10,12,26H,11H2,1-3H3,(H,27,28,30)
InChIKeyMFWWFLNOOPBCHK-UHFFFAOYSA-N
XLogP6.14
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.60
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide (CID 39768680) is 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is Cc1noc(C)c1CSc1ncccc1C(=O)Nc1nc(-c2c(C)[nH]c3ccccc23)cs1.
What is the InChIKey of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
The InChIKey is MFWWFLNOOPBCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2S2/c1-13-18(15(3)31-29-13)11-32-23-17(8-6-10-25-23)22(30)28-24-27-20(12-33-24)21-14(2)26-19-9-5-4-7-16(19)21/h4-10,12,26H,11H2,1-3H3,(H,27,28,30).
What are the key properties of 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide?
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 475.60 g/mol, XLogP of 6.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 39768680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).