N-[6-(1H-indol-6-yl)-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide

C20H15N5OS — CID 67319097

IUPACN-[6-(1H-indol-6-yl)-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cc(-c3ccc4cc[nH]c4c3)cc3[nH]ncc23)cs1
InChIInChI=1S/C20H15N5OS/c1-11-23-19(10-27-11)20(26)24-17-7-14(8-18-15(17)9-22-25-18)13-3-2-12-4-5-21-16(12)6-13/h2-10,21H,1H3,(H,22,25)(H,24,26)
InChIKeySOFFIBKCJRMXPN-UHFFFAOYSA-N
MW373.44 g/mol
LogP4.73
Rot. Bonds3

About N-[6-(1H-indol-6-yl)-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide

N-[6-(1H-indol-6-yl)-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 67319097) has the molecular formula C20H15N5OS and a molecular weight of 373.44 g/mol. Its IUPAC name is N-[6-(1H-indol-6-yl)-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(1H-indol-6-yl)-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID67319097
Molecular FormulaC20H15N5OS
Molecular Weight373.44 g/mol
Exact Mass373.10
IUPAC NameN-[6-(1H-indol-6-yl)-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cc(-c3ccc4cc[nH]c4c3)cc3[nH]ncc23)cs1
InChIInChI=1S/C20H15N5OS/c1-11-23-19(10-27-11)20(26)24-17-7-14(8-18-15(17)9-22-25-18)13-3-2-12-4-5-21-16(12)6-13/h2-10,21H,1H3,(H,22,25)(H,24,26)
InChIKeySOFFIBKCJRMXPN-UHFFFAOYSA-N
XLogP4.73
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1H-indol-6-yl)-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[6-(1H-indol-6-yl)-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide (CID 67319097) is N-[6-(1H-indol-6-yl)-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[6-(1H-indol-6-yl)-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[6-(1H-indol-6-yl)-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)Nc2cc(-c3ccc4cc[nH]c4c3)cc3[nH]ncc23)cs1.
What is the InChIKey of N-[6-(1H-indol-6-yl)-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is SOFFIBKCJRMXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5OS/c1-11-23-19(10-27-11)20(26)24-17-7-14(8-18-15(17)9-22-25-18)13-3-2-12-4-5-21-16(12)6-13/h2-10,21H,1H3,(H,22,25)(H,24,26).
What are the key properties of N-[6-(1H-indol-6-yl)-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[6-(1H-indol-6-yl)-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 373.44 g/mol, XLogP of 4.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1H-indol-6-yl)-1H-indazol-4-yl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67319097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).