5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine

C13H18N6S — CID 120902329

IUPAC5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCc1nccc(N2CCN(Cc3cnc(N)s3)CC2)n1
InChIInChI=1S/C13H18N6S/c1-10-15-3-2-12(17-10)19-6-4-18(5-7-19)9-11-8-16-13(14)20-11/h2-3,8H,4-7,9H2,1H3,(H2,14,16)
InChIKeyZYEQRMVOHJFHAQ-UHFFFAOYSA-N
MW290.40 g/mol
LogP1.15
Rot. Bonds3

About 5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine

5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 120902329) has the molecular formula C13H18N6S and a molecular weight of 290.40 g/mol. Its IUPAC name is 5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID120902329
Molecular FormulaC13H18N6S
Molecular Weight290.40 g/mol
Exact Mass290.13
IUPAC Name5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCc1nccc(N2CCN(Cc3cnc(N)s3)CC2)n1
InChIInChI=1S/C13H18N6S/c1-10-15-3-2-12(17-10)19-6-4-18(5-7-19)9-11-8-16-13(14)20-11/h2-3,8H,4-7,9H2,1H3,(H2,14,16)
InChIKeyZYEQRMVOHJFHAQ-UHFFFAOYSA-N
XLogP1.15
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine (CID 120902329) is 5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine is Cc1nccc(N2CCN(Cc3cnc(N)s3)CC2)n1.
What is the InChIKey of 5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is ZYEQRMVOHJFHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6S/c1-10-15-3-2-12(17-10)19-6-4-18(5-7-19)9-11-8-16-13(14)20-11/h2-3,8H,4-7,9H2,1H3,(H2,14,16).
What are the key properties of 5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine?
5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 290.40 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 120902329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).