N-(4-methyl-1,3-thiazol-2-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide

C17H14N6OS2 — CID 1172823

IUPACN-(4-methyl-1,3-thiazol-2-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCc1csc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)n1
InChIInChI=1S/C17H14N6OS2/c1-11-8-26-17(21-11)22-14(24)9-25-16-13-7-20-23(15(13)18-10-19-16)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,21,22,24)
InChIKeyOCZCGGVTHZLVHL-UHFFFAOYSA-N
MW382.47 g/mol
LogP3.31
Rot. Bonds5

About N-(4-methyl-1,3-thiazol-2-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide

N-(4-methyl-1,3-thiazol-2-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 1172823) has the molecular formula C17H14N6OS2 and a molecular weight of 382.47 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID1172823
Molecular FormulaC17H14N6OS2
Molecular Weight382.47 g/mol
Exact Mass382.07
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCc1csc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)n1
InChIInChI=1S/C17H14N6OS2/c1-11-8-26-17(21-11)22-14(24)9-25-16-13-7-20-23(15(13)18-10-19-16)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,21,22,24)
InChIKeyOCZCGGVTHZLVHL-UHFFFAOYSA-N
XLogP3.31
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide (CID 1172823) is N-(4-methyl-1,3-thiazol-2-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide is Cc1csc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is OCZCGGVTHZLVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6OS2/c1-11-8-26-17(21-11)22-14(24)9-25-16-13-7-20-23(15(13)18-10-19-16)12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,21,22,24).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
N-(4-methyl-1,3-thiazol-2-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 382.47 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 1172823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).