4-(thieno[3,2-d]pyrimidin-4-ylamino)-3-(3,3,3-trifluoropropoxy)benzamide

C16H13F3N4O2S — CID 24765264

IUPAC4-(thieno[3,2-d]pyrimidin-4-ylamino)-3-(3,3,3-trifluoropropoxy)benzamide
SMILESNC(=O)c1ccc(Nc2ncnc3ccsc23)c(OCCC(F)(F)F)c1
InChIInChI=1S/C16H13F3N4O2S/c17-16(18,19)4-5-25-12-7-9(14(20)24)1-2-10(12)23-15-13-11(3-6-26-13)21-8-22-15/h1-3,6-8H,4-5H2,(H2,20,24)(H,21,22,23)
InChIKeyQWSRDKLPGDUHRT-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.87
Rot. Bonds6

About 4-(thieno[3,2-d]pyrimidin-4-ylamino)-3-(3,3,3-trifluoropropoxy)benzamide

4-(thieno[3,2-d]pyrimidin-4-ylamino)-3-(3,3,3-trifluoropropoxy)benzamide (PubChem CID 24765264) has the molecular formula C16H13F3N4O2S and a molecular weight of 382.37 g/mol. Its IUPAC name is 4-(thieno[3,2-d]pyrimidin-4-ylamino)-3-(3,3,3-trifluoropropoxy)benzamide.

Molecular Properties

Compound Name4-(thieno[3,2-d]pyrimidin-4-ylamino)-3-(3,3,3-trifluoropropoxy)benzamide
PubChem CID24765264
Molecular FormulaC16H13F3N4O2S
Molecular Weight382.37 g/mol
Exact Mass382.07
IUPAC Name4-(thieno[3,2-d]pyrimidin-4-ylamino)-3-(3,3,3-trifluoropropoxy)benzamide
SMILESNC(=O)c1ccc(Nc2ncnc3ccsc23)c(OCCC(F)(F)F)c1
InChIInChI=1S/C16H13F3N4O2S/c17-16(18,19)4-5-25-12-7-9(14(20)24)1-2-10(12)23-15-13-11(3-6-26-13)21-8-22-15/h1-3,6-8H,4-5H2,(H2,20,24)(H,21,22,23)
InChIKeyQWSRDKLPGDUHRT-UHFFFAOYSA-N
XLogP3.87
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(thieno[3,2-d]pyrimidin-4-ylamino)-3-(3,3,3-trifluoropropoxy)benzamide?
The IUPAC name of 4-(thieno[3,2-d]pyrimidin-4-ylamino)-3-(3,3,3-trifluoropropoxy)benzamide (CID 24765264) is 4-(thieno[3,2-d]pyrimidin-4-ylamino)-3-(3,3,3-trifluoropropoxy)benzamide.
What is the SMILES notation for 4-(thieno[3,2-d]pyrimidin-4-ylamino)-3-(3,3,3-trifluoropropoxy)benzamide?
The canonical SMILES for 4-(thieno[3,2-d]pyrimidin-4-ylamino)-3-(3,3,3-trifluoropropoxy)benzamide is NC(=O)c1ccc(Nc2ncnc3ccsc23)c(OCCC(F)(F)F)c1.
What is the InChIKey of 4-(thieno[3,2-d]pyrimidin-4-ylamino)-3-(3,3,3-trifluoropropoxy)benzamide?
The InChIKey is QWSRDKLPGDUHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2S/c17-16(18,19)4-5-25-12-7-9(14(20)24)1-2-10(12)23-15-13-11(3-6-26-13)21-8-22-15/h1-3,6-8H,4-5H2,(H2,20,24)(H,21,22,23).
What are the key properties of 4-(thieno[3,2-d]pyrimidin-4-ylamino)-3-(3,3,3-trifluoropropoxy)benzamide?
4-(thieno[3,2-d]pyrimidin-4-ylamino)-3-(3,3,3-trifluoropropoxy)benzamide has a molecular weight of 382.37 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thieno[3,2-d]pyrimidin-4-ylamino)-3-(3,3,3-trifluoropropoxy)benzamide is sourced from PubChem (CID 24765264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).