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

C14H19FN6S — CID 146665650

IUPAC5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCNc1ncc(CN2CCNC(Cc3ncc(F)cn3)C2)s1
InChIInChI=1S/C14H19FN6S/c1-16-14-20-7-12(22-14)9-21-3-2-17-11(8-21)4-13-18-5-10(15)6-19-13/h5-7,11,17H,2-4,8-9H2,1H3,(H,16,20)
InChIKeyHKGGMXAKGGVWDV-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.13
Rot. Bonds5

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

5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 146665650) has the molecular formula C14H19FN6S and a molecular weight of 322.41 g/mol. Its IUPAC name is 5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID146665650
Molecular FormulaC14H19FN6S
Molecular Weight322.41 g/mol
Exact Mass322.14
IUPAC Name5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCNc1ncc(CN2CCNC(Cc3ncc(F)cn3)C2)s1
InChIInChI=1S/C14H19FN6S/c1-16-14-20-7-12(22-14)9-21-3-2-17-11(8-21)4-13-18-5-10(15)6-19-13/h5-7,11,17H,2-4,8-9H2,1H3,(H,16,20)
InChIKeyHKGGMXAKGGVWDV-UHFFFAOYSA-N
XLogP1.13
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.13
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]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine (CID 146665650) is 5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine is CNc1ncc(CN2CCNC(Cc3ncc(F)cn3)C2)s1.
What is the InChIKey of 5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is HKGGMXAKGGVWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN6S/c1-16-14-20-7-12(22-14)9-21-3-2-17-11(8-21)4-13-18-5-10(15)6-19-13/h5-7,11,17H,2-4,8-9H2,1H3,(H,16,20).
What are the key properties of 5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine?
5-[[3-[(5-fluoropyrimidin-2-yl)methyl]piperazin-1-yl]methyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 322.41 g/mol, XLogP of 1.13, 5 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]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 146665650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).