N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

C17H16N4OS2 — CID 71702166

IUPACN-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCn1nc2c(c1NC(=O)Cc1csc(-c3ccccc3)n1)CSC2
InChIInChI=1S/C17H16N4OS2/c1-21-16(13-9-23-10-14(13)20-21)19-15(22)7-12-8-24-17(18-12)11-5-3-2-4-6-11/h2-6,8H,7,9-10H2,1H3,(H,19,22)
InChIKeyBANHMKCGPXRJPB-UHFFFAOYSA-N
MW356.48 g/mol
LogP3.47
Rot. Bonds4

About N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide

N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (PubChem CID 71702166) has the molecular formula C17H16N4OS2 and a molecular weight of 356.48 g/mol. Its IUPAC name is N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
PubChem CID71702166
Molecular FormulaC17H16N4OS2
Molecular Weight356.48 g/mol
Exact Mass356.08
IUPAC NameN-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
SMILESCn1nc2c(c1NC(=O)Cc1csc(-c3ccccc3)n1)CSC2
InChIInChI=1S/C17H16N4OS2/c1-21-16(13-9-23-10-14(13)20-21)19-15(22)7-12-8-24-17(18-12)11-5-3-2-4-6-11/h2-6,8H,7,9-10H2,1H3,(H,19,22)
InChIKeyBANHMKCGPXRJPB-UHFFFAOYSA-N
XLogP3.47
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.48
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide (CID 71702166) is N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is Cn1nc2c(c1NC(=O)Cc1csc(-c3ccccc3)n1)CSC2.
What is the InChIKey of N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is BANHMKCGPXRJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS2/c1-21-16(13-9-23-10-14(13)20-21)19-15(22)7-12-8-24-17(18-12)11-5-3-2-4-6-11/h2-6,8H,7,9-10H2,1H3,(H,19,22).
What are the key properties of N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide?
N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 356.48 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-2-(2-phenyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 71702166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).