N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

C19H14N6OS2 — CID 55786929

IUPACN-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)Nc3nc(-c4c[nH]c5ccccc45)cs3)cs2)cn1
InChIInChI=1S/C19H14N6OS2/c1-25-8-11(6-21-25)18-22-16(10-27-18)17(26)24-19-23-15(9-28-19)13-7-20-14-5-3-2-4-12(13)14/h2-10,20H,1H3,(H,23,24,26)
InChIKeyOKOYNKOWGMJJQL-UHFFFAOYSA-N
MW406.50 g/mol
LogP4.40
Rot. Bonds4

About N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide

N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 55786929) has the molecular formula C19H14N6OS2 and a molecular weight of 406.50 g/mol. Its IUPAC name is N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID55786929
Molecular FormulaC19H14N6OS2
Molecular Weight406.50 g/mol
Exact Mass406.07
IUPAC NameN-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
SMILESCn1cc(-c2nc(C(=O)Nc3nc(-c4c[nH]c5ccccc45)cs3)cs2)cn1
InChIInChI=1S/C19H14N6OS2/c1-25-8-11(6-21-25)18-22-16(10-27-18)17(26)24-19-23-15(9-28-19)13-7-20-14-5-3-2-4-12(13)14/h2-10,20H,1H3,(H,23,24,26)
InChIKeyOKOYNKOWGMJJQL-UHFFFAOYSA-N
XLogP4.40
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 87002068
N-(2-benzamidophenyl)-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 55933624
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclobutanecarboxamide
CID 8839544
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]cyclohexanecarboxamide
CID 2566619
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methoxy-4-methylbenzamide
CID 55413859
3-(1-methylpyrazol-4-yl)-1H-indole
CID 118064780
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 8839526
2-(4-fluorophenyl)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 51535850
(2R)-2-acetamido-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 31510372
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)butanamide
CID 125431169
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2,6-dimethylquinoline-3-carboxamide
CID 24562986
3-[(dimethylamino)methyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide (CID 55786929) is N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is Cn1cc(-c2nc(C(=O)Nc3nc(-c4c[nH]c5ccccc45)cs3)cs2)cn1.
What is the InChIKey of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is OKOYNKOWGMJJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6OS2/c1-25-8-11(6-21-25)18-22-16(10-27-18)17(26)24-19-23-15(9-28-19)13-7-20-14-5-3-2-4-12(13)14/h2-10,20H,1H3,(H,23,24,26).
What are the key properties of N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide?
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 406.50 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55786929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).