5-fluoro-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-benzoxazole

C18H16FN5OS — CID 133487290

IUPAC5-fluoro-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-benzoxazole
SMILESCc1cc2c(N3CCN(c4nc5cc(F)ccc5o4)CC3)ncnc2s1
InChIInChI=1S/C18H16FN5OS/c1-11-8-13-16(20-10-21-17(13)26-11)23-4-6-24(7-5-23)18-22-14-9-12(19)2-3-15(14)25-18/h2-3,8-10H,4-7H2,1H3
InChIKeyQRSLIVQLILZBEU-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.61
Rot. Bonds2

About 5-fluoro-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-benzoxazole

5-fluoro-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-benzoxazole (PubChem CID 133487290) has the molecular formula C18H16FN5OS and a molecular weight of 369.43 g/mol. Its IUPAC name is 5-fluoro-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name5-fluoro-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-benzoxazole
PubChem CID133487290
Molecular FormulaC18H16FN5OS
Molecular Weight369.43 g/mol
Exact Mass369.11
IUPAC Name5-fluoro-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-benzoxazole
SMILESCc1cc2c(N3CCN(c4nc5cc(F)ccc5o4)CC3)ncnc2s1
InChIInChI=1S/C18H16FN5OS/c1-11-8-13-16(20-10-21-17(13)26-11)23-4-6-24(7-5-23)18-22-14-9-12(19)2-3-15(14)25-18/h2-3,8-10H,4-7H2,1H3
InChIKeyQRSLIVQLILZBEU-UHFFFAOYSA-N
XLogP3.61
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-fluoro-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-benzoxazole with MolForge

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Related Compounds

Vas-2870
CID 4058452
Thienopyrimidine deriv. 69
CID 6539977
N-(4-(2-(thieno[3,2-d]pyrimidin-4-ylamino)ethyl)phenyl)benzo[d]oxazol-2-amine
CID 46883087
2-[[3-[4-(Pyrimidin-2-yl)-1-piperazinyl]propyl]thio]benzoxazole
CID 24949389
[(2S,6S)-2-[(1,3-benzoxazol-2-ylamino)methyl]-6-methylpiperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 70694257
2-[6-[4-(1,2-Benzothiazol-3-yl)piperazin-1-yl]hexylsulfanyl]-1,3-benzoxazole
CID 156013612
2-(4-{[2-(Ethylthio)pyrimidin-5-yl]methyl}piperazin-1-yl)-1,3-benzoxazole
CID 50984417
[4-(4-Fluoro-2-methoxyanilino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-piperidin-1-ylmethanone
CID 131980351
[4-(4-Fluoro-2-methoxyanilino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-pyrrolidin-1-ylmethanone
CID 131980352
4-(4-fluoro-2-methoxyanilino)-5-methyl-N-(3-pyrrolidin-1-ylpropyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 138580819
[4-(4-Fluoro-2-methoxyanilino)-5-methylthieno[2,3-d]pyrimidin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 138580820
US9896452, Example 25
CID 77914734

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-benzoxazole?
The IUPAC name of 5-fluoro-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-benzoxazole (CID 133487290) is 5-fluoro-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 5-fluoro-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-benzoxazole?
The canonical SMILES for 5-fluoro-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-benzoxazole is Cc1cc2c(N3CCN(c4nc5cc(F)ccc5o4)CC3)ncnc2s1.
What is the InChIKey of 5-fluoro-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-benzoxazole?
The InChIKey is QRSLIVQLILZBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5OS/c1-11-8-13-16(20-10-21-17(13)26-11)23-4-6-24(7-5-23)18-22-14-9-12(19)2-3-15(14)25-18/h2-3,8-10H,4-7H2,1H3.
What are the key properties of 5-fluoro-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-benzoxazole?
5-fluoro-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-benzoxazole has a molecular weight of 369.43 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 133487290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).