N-[2-(4-bromo-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine

C11H9BrN4S2 — CID 67600724

IUPACN-[2-(4-bromo-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESBrc1csc(CCNc2ncnc3sccc23)n1
InChIInChI=1S/C11H9BrN4S2/c12-8-5-18-9(16-8)1-3-13-10-7-2-4-17-11(7)15-6-14-10/h2,4-6H,1,3H2,(H,13,14,15)
InChIKeyUPBSFVXFRSLVEZ-UHFFFAOYSA-N
MW341.26 g/mol
LogP3.56
Rot. Bonds4

About N-[2-(4-bromo-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine

N-[2-(4-bromo-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 67600724) has the molecular formula C11H9BrN4S2 and a molecular weight of 341.26 g/mol. Its IUPAC name is N-[2-(4-bromo-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(4-bromo-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID67600724
Molecular FormulaC11H9BrN4S2
Molecular Weight341.26 g/mol
Exact Mass339.95
IUPAC NameN-[2-(4-bromo-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
SMILESBrc1csc(CCNc2ncnc3sccc23)n1
InChIInChI=1S/C11H9BrN4S2/c12-8-5-18-9(16-8)1-3-13-10-7-2-4-17-11(7)15-6-14-10/h2,4-6H,1,3H2,(H,13,14,15)
InChIKeyUPBSFVXFRSLVEZ-UHFFFAOYSA-N
XLogP3.56
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.26
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(4-bromo-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine (CID 67600724) is N-[2-(4-bromo-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(4-bromo-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(4-bromo-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is Brc1csc(CCNc2ncnc3sccc23)n1.
What is the InChIKey of N-[2-(4-bromo-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is UPBSFVXFRSLVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4S2/c12-8-5-18-9(16-8)1-3-13-10-7-2-4-17-11(7)15-6-14-10/h2,4-6H,1,3H2,(H,13,14,15).
What are the key properties of N-[2-(4-bromo-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine?
N-[2-(4-bromo-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 341.26 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 67600724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).