4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide

C17H15F3N4O2S — CID 24765267

IUPAC4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide
SMILESCc1csc2c(Nc3ccc(C(N)=O)cc3OCCC(F)(F)F)ncnc12
InChIInChI=1S/C17H15F3N4O2S/c1-9-7-27-14-13(9)22-8-23-16(14)24-11-3-2-10(15(21)25)6-12(11)26-5-4-17(18,19)20/h2-3,6-8H,4-5H2,1H3,(H2,21,25)(H,22,23,24)
InChIKeyTULAXQXKVLVZHO-UHFFFAOYSA-N
MW396.39 g/mol
LogP4.17
Rot. Bonds6

About 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide

4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide (PubChem CID 24765267) has the molecular formula C17H15F3N4O2S and a molecular weight of 396.39 g/mol. Its IUPAC name is 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide.

Molecular Properties

Compound Name4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide
PubChem CID24765267
Molecular FormulaC17H15F3N4O2S
Molecular Weight396.39 g/mol
Exact Mass396.09
IUPAC Name4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide
SMILESCc1csc2c(Nc3ccc(C(N)=O)cc3OCCC(F)(F)F)ncnc12
InChIInChI=1S/C17H15F3N4O2S/c1-9-7-27-14-13(9)22-8-23-16(14)24-11-3-2-10(15(21)25)6-12(11)26-5-4-17(18,19)20/h2-3,6-8H,4-5H2,1H3,(H2,21,25)(H,22,23,24)
InChIKeyTULAXQXKVLVZHO-UHFFFAOYSA-N
XLogP4.17
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide?
The IUPAC name of 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide (CID 24765267) is 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide.
What is the SMILES notation for 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide?
The canonical SMILES for 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide is Cc1csc2c(Nc3ccc(C(N)=O)cc3OCCC(F)(F)F)ncnc12.
What is the InChIKey of 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide?
The InChIKey is TULAXQXKVLVZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2S/c1-9-7-27-14-13(9)22-8-23-16(14)24-11-3-2-10(15(21)25)6-12(11)26-5-4-17(18,19)20/h2-3,6-8H,4-5H2,1H3,(H2,21,25)(H,22,23,24).
What are the key properties of 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide?
4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide has a molecular weight of 396.39 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-methylthieno[3,2-d]pyrimidin-4-yl)amino]-3-(3,3,3-trifluoropropoxy)benzamide is sourced from PubChem (CID 24765267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).