5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine

C13H17FN6S — CID 174192840

IUPAC5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCNC(Cc3ncc(F)cn3)C2)s1
InChIInChI=1S/C13H17FN6S/c14-9-4-17-12(18-5-9)3-10-7-20(2-1-16-10)8-11-6-19-13(15)21-11/h4-6,10,16H,1-3,7-8H2,(H2,15,19)
InChIKeyGMALGXVMPHKXMM-UHFFFAOYSA-N
MW308.39 g/mol
LogP0.67
Rot. Bonds4

About 5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine

5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 174192840) has the molecular formula C13H17FN6S and a molecular weight of 308.39 g/mol. Its IUPAC name is 5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID174192840
Molecular FormulaC13H17FN6S
Molecular Weight308.39 g/mol
Exact Mass308.12
IUPAC Name5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(CN2CCNC(Cc3ncc(F)cn3)C2)s1
InChIInChI=1S/C13H17FN6S/c14-9-4-17-12(18-5-9)3-10-7-20(2-1-16-10)8-11-6-19-13(15)21-11/h4-6,10,16H,1-3,7-8H2,(H2,15,19)
InChIKeyGMALGXVMPHKXMM-UHFFFAOYSA-N
XLogP0.67
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine (CID 174192840) is 5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine is Nc1ncc(CN2CCNC(Cc3ncc(F)cn3)C2)s1.
What is the InChIKey of 5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is GMALGXVMPHKXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN6S/c14-9-4-17-12(18-5-9)3-10-7-20(2-1-16-10)8-11-6-19-13(15)21-11/h4-6,10,16H,1-3,7-8H2,(H2,15,19).
What are the key properties of 5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 308.39 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 174192840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).