4-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole

C14H11N5S3 — CID 17454861

IUPAC4-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole
SMILESCn1ncc2c(SCc3csc(-c4ccsc4)n3)ncnc21
InChIInChI=1S/C14H11N5S3/c1-19-12-11(4-17-19)14(16-8-15-12)22-7-10-6-21-13(18-10)9-2-3-20-5-9/h2-6,8H,7H2,1H3
InChIKeyLUUZTXUALZKMOT-UHFFFAOYSA-N
MW345.48 g/mol
LogP3.84
Rot. Bonds4

About 4-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole

4-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole (PubChem CID 17454861) has the molecular formula C14H11N5S3 and a molecular weight of 345.48 g/mol. Its IUPAC name is 4-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole
PubChem CID17454861
Molecular FormulaC14H11N5S3
Molecular Weight345.48 g/mol
Exact Mass345.02
IUPAC Name4-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole
SMILESCn1ncc2c(SCc3csc(-c4ccsc4)n3)ncnc21
InChIInChI=1S/C14H11N5S3/c1-19-12-11(4-17-19)14(16-8-15-12)22-7-10-6-21-13(18-10)9-2-3-20-5-9/h2-6,8H,7H2,1H3
InChIKeyLUUZTXUALZKMOT-UHFFFAOYSA-N
XLogP3.84
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole?
The IUPAC name of 4-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole (CID 17454861) is 4-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole.
What is the SMILES notation for 4-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole?
The canonical SMILES for 4-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole is Cn1ncc2c(SCc3csc(-c4ccsc4)n3)ncnc21.
What is the InChIKey of 4-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole?
The InChIKey is LUUZTXUALZKMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5S3/c1-19-12-11(4-17-19)14(16-8-15-12)22-7-10-6-21-13(18-10)9-2-3-20-5-9/h2-6,8H,7H2,1H3.
What are the key properties of 4-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole?
4-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole has a molecular weight of 345.48 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylmethyl]-2-thiophen-3-yl-1,3-thiazole is sourced from PubChem (CID 17454861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).