2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide

C24H19N9OS2 — CID 167963829

IUPAC2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESNn1c(SCC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)nnc1-c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C24H19N9OS2/c25-33-22(19-10-18(29-30-19)14-6-2-1-3-7-14)31-32-24(33)36-13-21(34)28-23-27-20(12-35-23)16-11-26-17-9-5-4-8-15(16)17/h1-12,26H,13,25H2,(H,29,30)(H,27,28,34)
InChIKeyKZFVUVVDZVDNEP-UHFFFAOYSA-N
MW513.61 g/mol
LogP4.38
Rot. Bonds7

About 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide

2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 167963829) has the molecular formula C24H19N9OS2 and a molecular weight of 513.61 g/mol. Its IUPAC name is 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID167963829
Molecular FormulaC24H19N9OS2
Molecular Weight513.61 g/mol
Exact Mass513.12
IUPAC Name2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
SMILESNn1c(SCC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)nnc1-c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C24H19N9OS2/c25-33-22(19-10-18(29-30-19)14-6-2-1-3-7-14)31-32-24(33)36-13-21(34)28-23-27-20(12-35-23)16-11-26-17-9-5-4-8-15(16)17/h1-12,26H,13,25H2,(H,29,30)(H,27,28,34)
InChIKeyKZFVUVVDZVDNEP-UHFFFAOYSA-N
XLogP4.38
TPSA143.19 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.61
LogP ≤ 54.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 7295352
2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 124554451
2-(4-fluorophenyl)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 51535850
2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 33278789
2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 33269111
2-[[4-amino-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)acetamide
CID 4908359
2-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 35730017
2-[[4-ethyl-5-(1H-indol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 4066690
2-[(5-methyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 7267669
2-[[4-amino-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 30861417
N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-(tetrazol-1-yl)butanamide
CID 125431169
4-(2,5-dimethylthiophen-3-yl)-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]-4-oxobutanamide
CID 55467708

Frequently Asked Questions

What is the IUPAC name of 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide (CID 167963829) is 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide is Nn1c(SCC(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)nnc1-c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is KZFVUVVDZVDNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N9OS2/c25-33-22(19-10-18(29-30-19)14-6-2-1-3-7-14)31-32-24(33)36-13-21(34)28-23-27-20(12-35-23)16-11-26-17-9-5-4-8-15(16)17/h1-12,26H,13,25H2,(H,29,30)(H,27,28,34).
What are the key properties of 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide?
2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 513.61 g/mol, XLogP of 4.38, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 167963829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).