6-(5-methyl-1H-pyrazol-4-yl)-2-(1,3-thiazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one

C13H9N5OS2 — CID 136603235

IUPAC6-(5-methyl-1H-pyrazol-4-yl)-2-(1,3-thiazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1[nH]ncc1-c1cc2nc(-c3nccs3)[nH]c(=O)c2s1
InChIInChI=1S/C13H9N5OS2/c1-6-7(5-15-18-6)9-4-8-10(21-9)12(19)17-11(16-8)13-14-2-3-20-13/h2-5H,1H3,(H,15,18)(H,16,17,19)
InChIKeyTVADWTCGTYXYCD-UHFFFAOYSA-N
MW315.38 g/mol
LogP2.81
Rot. Bonds2

About 6-(5-methyl-1H-pyrazol-4-yl)-2-(1,3-thiazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one

6-(5-methyl-1H-pyrazol-4-yl)-2-(1,3-thiazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 136603235) has the molecular formula C13H9N5OS2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 6-(5-methyl-1H-pyrazol-4-yl)-2-(1,3-thiazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(5-methyl-1H-pyrazol-4-yl)-2-(1,3-thiazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID136603235
Molecular FormulaC13H9N5OS2
Molecular Weight315.38 g/mol
Exact Mass315.02
IUPAC Name6-(5-methyl-1H-pyrazol-4-yl)-2-(1,3-thiazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCc1[nH]ncc1-c1cc2nc(-c3nccs3)[nH]c(=O)c2s1
InChIInChI=1S/C13H9N5OS2/c1-6-7(5-15-18-6)9-4-8-10(21-9)12(19)17-11(16-8)13-14-2-3-20-13/h2-5H,1H3,(H,15,18)(H,16,17,19)
InChIKeyTVADWTCGTYXYCD-UHFFFAOYSA-N
XLogP2.81
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Cdc7-IN-7c
CID 136333907
6-(5-methyl-1H-pyrazol-4-yl)-2-[(2S)-piperidin-2-yl]thieno[3,2-d]pyrimidin-4(3H)-one dihydrochloride
CID 136333957
6-(5-methyl-1H-pyrazol-4-yl)-2-[(2S)-1,2,3,6-tetrahydropyridin-2-yl]thieno[3,2-d]pyrimidin-4(3H)-one dihydrochloride
CID 136333959
6-(5-methyl-1H-pyrazol-4-yl)-2-[(2R)-piperidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one;dihydrochloride
CID 136603177
6-(5-methyl-1H-pyrazol-4-yl)-2-[(2S,3S)-3-methylpyrrolidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one;dihydrochloride
CID 136603266
6-(5-methyl-1H-pyrazol-4-yl)-2-[(2S)-pyrrolidin-2-yl]-3H-thieno[3,2-d]pyrimidin-4-one;dihydrochloride
CID 136603384
2-(7-azabicyclo[2.2.1]heptan-1-yl)-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one;hydrochloride
CID 136603469
2-(2-azabicyclo[2.1.1]hexan-1-yl)-6-(5-methyl-1H-pyrazol-4-yl)-3H-thieno[3,2-d]pyrimidin-4-one;dihydrochloride
CID 155512073
2-Cyclohexyl-6-(3-methyl-1H-pyrazol-4-yl)-thieno[3,2-d]pyrimidin-4(3h)-one
CID 136443811
2-Methyl-6-(3-methyl-1H-pyrazol-4-yl)-thieno[3,2-d]pyrimidin-4(3h)-one
CID 136443812
2-(Cyclopentylmethyl)-6-(3-methyl-1H-pyrazol-4-yl)-thieno[3,2-d]pyrimidin-4(3h)-one
CID 136443837
6-(5-methyl-1H-pyrazol-4-yl)-2-phenyl-3H-thieno[3,2-d]pyrimidin-4-one
CID 136603187

Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-1H-pyrazol-4-yl)-2-(1,3-thiazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(5-methyl-1H-pyrazol-4-yl)-2-(1,3-thiazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one (CID 136603235) is 6-(5-methyl-1H-pyrazol-4-yl)-2-(1,3-thiazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(5-methyl-1H-pyrazol-4-yl)-2-(1,3-thiazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(5-methyl-1H-pyrazol-4-yl)-2-(1,3-thiazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one is Cc1[nH]ncc1-c1cc2nc(-c3nccs3)[nH]c(=O)c2s1.
What is the InChIKey of 6-(5-methyl-1H-pyrazol-4-yl)-2-(1,3-thiazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is TVADWTCGTYXYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5OS2/c1-6-7(5-15-18-6)9-4-8-10(21-9)12(19)17-11(16-8)13-14-2-3-20-13/h2-5H,1H3,(H,15,18)(H,16,17,19).
What are the key properties of 6-(5-methyl-1H-pyrazol-4-yl)-2-(1,3-thiazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one?
6-(5-methyl-1H-pyrazol-4-yl)-2-(1,3-thiazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 315.38 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-1H-pyrazol-4-yl)-2-(1,3-thiazol-2-yl)-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 136603235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).