2-(5-methylthieno[2,3-d]pyrimidin-6-yl)-1,3-benzoxazole

C14H9N3OS — CID 134812925

IUPAC2-(5-methylthieno[2,3-d]pyrimidin-6-yl)-1,3-benzoxazole
SMILESCc1c(-c2nc3ccccc3o2)sc2ncncc12
InChIInChI=1S/C14H9N3OS/c1-8-9-6-15-7-16-14(9)19-12(8)13-17-10-4-2-3-5-11(10)18-13/h2-7H,1H3
InChIKeyMDWOAFDDVHIJPC-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.81
Rot. Bonds1

About 2-(5-methylthieno[2,3-d]pyrimidin-6-yl)-1,3-benzoxazole

2-(5-methylthieno[2,3-d]pyrimidin-6-yl)-1,3-benzoxazole (PubChem CID 134812925) has the molecular formula C14H9N3OS and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-(5-methylthieno[2,3-d]pyrimidin-6-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(5-methylthieno[2,3-d]pyrimidin-6-yl)-1,3-benzoxazole
PubChem CID134812925
Molecular FormulaC14H9N3OS
Molecular Weight267.31 g/mol
Exact Mass267.05
IUPAC Name2-(5-methylthieno[2,3-d]pyrimidin-6-yl)-1,3-benzoxazole
SMILESCc1c(-c2nc3ccccc3o2)sc2ncncc12
InChIInChI=1S/C14H9N3OS/c1-8-9-6-15-7-16-14(9)19-12(8)13-17-10-4-2-3-5-11(10)18-13/h2-7H,1H3
InChIKeyMDWOAFDDVHIJPC-UHFFFAOYSA-N
XLogP3.81
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[difluoro-[(4-Methyl-Pyrimidinyl)-Thio]methyl]-Benzoxazole
CID 395772
Thienopyrimidine deriv. 69
CID 6539977
4-(2-Pyridinylthio)benzofuro[3,2-d]pyrimidine
CID 624350
2-[(2-ethyl[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 665509
5-Phenyl-2-(thieno[2,3-d]pyrimidin-4-ylsulfanylmethyl)-1,3-oxazole
CID 2565061
N-(4-methoxybenzo[d]thiazol-2-yl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 16032616
2-[(4-Ethylpyrimidin-2-yl)sulfanyl-difluoro-methyl]-1,3-benzoxazole
CID 56655725
2-[Difluoro-(4-methylpyrimidin-2-yl)sulfanyl-methyl]-7-methyl-1,3-benzoxazole
CID 56850108
2-[Difluoro-(4-methylpyrimidin-2-yl)sulfanyl-methyl]-4-methyl-1,3-benzoxazole
CID 56850110
2-[Difluoro-(4-methyl-1,3-benzoxazol-2-yl)methyl]sulfanylpyrimidin-4-amine
CID 56850112
2-[(4-Cyclopropylpyrimidin-2-yl)sulfanyl-difluoro-methyl]-1,3-benzoxazole
CID 56850114
2-[Difluoro-(4-isopropylpyrimidin-2-yl)sulfanyl-methyl]-1,3-benzoxazole
CID 56850115

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthieno[2,3-d]pyrimidin-6-yl)-1,3-benzoxazole?
The IUPAC name of 2-(5-methylthieno[2,3-d]pyrimidin-6-yl)-1,3-benzoxazole (CID 134812925) is 2-(5-methylthieno[2,3-d]pyrimidin-6-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(5-methylthieno[2,3-d]pyrimidin-6-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(5-methylthieno[2,3-d]pyrimidin-6-yl)-1,3-benzoxazole is Cc1c(-c2nc3ccccc3o2)sc2ncncc12.
What is the InChIKey of 2-(5-methylthieno[2,3-d]pyrimidin-6-yl)-1,3-benzoxazole?
The InChIKey is MDWOAFDDVHIJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3OS/c1-8-9-6-15-7-16-14(9)19-12(8)13-17-10-4-2-3-5-11(10)18-13/h2-7H,1H3.
What are the key properties of 2-(5-methylthieno[2,3-d]pyrimidin-6-yl)-1,3-benzoxazole?
2-(5-methylthieno[2,3-d]pyrimidin-6-yl)-1,3-benzoxazole has a molecular weight of 267.31 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthieno[2,3-d]pyrimidin-6-yl)-1,3-benzoxazole is sourced from PubChem (CID 134812925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).