6-methyl-7-[5-phenyl-4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[5,1-b][1,3]thiazole

C17H12N6S2 — CID 58094995

IUPAC6-methyl-7-[5-phenyl-4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[5,1-b][1,3]thiazole
SMILESCc1nn2ccsc2c1-c1nc(-c2ncn[nH]2)c(-c2ccccc2)s1
InChIInChI=1S/C17H12N6S2/c1-10-12(17-23(22-10)7-8-24-17)16-20-13(15-18-9-19-21-15)14(25-16)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,19,21)
InChIKeyLYXXDPKYDONEHT-UHFFFAOYSA-N
MW364.46 g/mol
LogP4.28
Rot. Bonds3

About 6-methyl-7-[5-phenyl-4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[5,1-b][1,3]thiazole

6-methyl-7-[5-phenyl-4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[5,1-b][1,3]thiazole (PubChem CID 58094995) has the molecular formula C17H12N6S2 and a molecular weight of 364.46 g/mol. Its IUPAC name is 6-methyl-7-[5-phenyl-4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[5,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-methyl-7-[5-phenyl-4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[5,1-b][1,3]thiazole
PubChem CID58094995
Molecular FormulaC17H12N6S2
Molecular Weight364.46 g/mol
Exact Mass364.06
IUPAC Name6-methyl-7-[5-phenyl-4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[5,1-b][1,3]thiazole
SMILESCc1nn2ccsc2c1-c1nc(-c2ncn[nH]2)c(-c2ccccc2)s1
InChIInChI=1S/C17H12N6S2/c1-10-12(17-23(22-10)7-8-24-17)16-20-13(15-18-9-19-21-15)14(25-16)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,19,21)
InChIKeyLYXXDPKYDONEHT-UHFFFAOYSA-N
XLogP4.28
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-[5-phenyl-4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[5,1-b][1,3]thiazole?
The IUPAC name of 6-methyl-7-[5-phenyl-4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[5,1-b][1,3]thiazole (CID 58094995) is 6-methyl-7-[5-phenyl-4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[5,1-b][1,3]thiazole.
What is the SMILES notation for 6-methyl-7-[5-phenyl-4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[5,1-b][1,3]thiazole?
The canonical SMILES for 6-methyl-7-[5-phenyl-4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[5,1-b][1,3]thiazole is Cc1nn2ccsc2c1-c1nc(-c2ncn[nH]2)c(-c2ccccc2)s1.
What is the InChIKey of 6-methyl-7-[5-phenyl-4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[5,1-b][1,3]thiazole?
The InChIKey is LYXXDPKYDONEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6S2/c1-10-12(17-23(22-10)7-8-24-17)16-20-13(15-18-9-19-21-15)14(25-16)11-5-3-2-4-6-11/h2-9H,1H3,(H,18,19,21).
What are the key properties of 6-methyl-7-[5-phenyl-4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[5,1-b][1,3]thiazole?
6-methyl-7-[5-phenyl-4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[5,1-b][1,3]thiazole has a molecular weight of 364.46 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-[5-phenyl-4-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]pyrazolo[5,1-b][1,3]thiazole is sourced from PubChem (CID 58094995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).