1-(4-methylpyrazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine

C15H18N6S — CID 71932887

IUPAC1-(4-methylpyrazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
SMILESCc1cnn(CC(C)NCc2csc(-c3ncccn3)n2)c1
InChIInChI=1S/C15H18N6S/c1-11-6-19-21(8-11)9-12(2)18-7-13-10-22-15(20-13)14-16-4-3-5-17-14/h3-6,8,10,12,18H,7,9H2,1-2H3
InChIKeyXGCPVDWFZYRNKM-UHFFFAOYSA-N
MW314.42 g/mol
LogP2.28
Rot. Bonds6

About 1-(4-methylpyrazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine

1-(4-methylpyrazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine (PubChem CID 71932887) has the molecular formula C15H18N6S and a molecular weight of 314.42 g/mol. Its IUPAC name is 1-(4-methylpyrazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-(4-methylpyrazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
PubChem CID71932887
Molecular FormulaC15H18N6S
Molecular Weight314.42 g/mol
Exact Mass314.13
IUPAC Name1-(4-methylpyrazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
SMILESCc1cnn(CC(C)NCc2csc(-c3ncccn3)n2)c1
InChIInChI=1S/C15H18N6S/c1-11-6-19-21(8-11)9-12(2)18-7-13-10-22-15(20-13)14-16-4-3-5-17-14/h3-6,8,10,12,18H,7,9H2,1-2H3
InChIKeyXGCPVDWFZYRNKM-UHFFFAOYSA-N
XLogP2.28
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpyrazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine?
The IUPAC name of 1-(4-methylpyrazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine (CID 71932887) is 1-(4-methylpyrazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-(4-methylpyrazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for 1-(4-methylpyrazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine is Cc1cnn(CC(C)NCc2csc(-c3ncccn3)n2)c1.
What is the InChIKey of 1-(4-methylpyrazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine?
The InChIKey is XGCPVDWFZYRNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6S/c1-11-6-19-21(8-11)9-12(2)18-7-13-10-22-15(20-13)14-16-4-3-5-17-14/h3-6,8,10,12,18H,7,9H2,1-2H3.
What are the key properties of 1-(4-methylpyrazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine?
1-(4-methylpyrazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine has a molecular weight of 314.42 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpyrazol-1-yl)-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 71932887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).