5-N,5-N-dimethyl-2-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]pyridine-2,5-diamine

C15H18N6S — CID 119044456

IUPAC5-N,5-N-dimethyl-2-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]pyridine-2,5-diamine
SMILESCN(C)c1ccc(NCc2nc(-c3cnn(C)c3)cs2)nc1
InChIInChI=1S/C15H18N6S/c1-20(2)12-4-5-14(16-7-12)17-8-15-19-13(10-22-15)11-6-18-21(3)9-11/h4-7,9-10H,8H2,1-3H3,(H,16,17)
InChIKeyHUPXBCGFSSCDMD-UHFFFAOYSA-N
MW314.42 g/mol
LogP2.62
Rot. Bonds5

About 5-N,5-N-dimethyl-2-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]pyridine-2,5-diamine

5-N,5-N-dimethyl-2-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]pyridine-2,5-diamine (PubChem CID 119044456) has the molecular formula C15H18N6S and a molecular weight of 314.42 g/mol. Its IUPAC name is 5-N,5-N-dimethyl-2-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name5-N,5-N-dimethyl-2-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]pyridine-2,5-diamine
PubChem CID119044456
Molecular FormulaC15H18N6S
Molecular Weight314.42 g/mol
Exact Mass314.13
IUPAC Name5-N,5-N-dimethyl-2-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]pyridine-2,5-diamine
SMILESCN(C)c1ccc(NCc2nc(-c3cnn(C)c3)cs2)nc1
InChIInChI=1S/C15H18N6S/c1-20(2)12-4-5-14(16-7-12)17-8-15-19-13(10-22-15)11-6-18-21(3)9-11/h4-7,9-10H,8H2,1-3H3,(H,16,17)
InChIKeyHUPXBCGFSSCDMD-UHFFFAOYSA-N
XLogP2.62
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-N,5-N-dimethyl-2-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]pyridine-2,5-diamine?
The IUPAC name of 5-N,5-N-dimethyl-2-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]pyridine-2,5-diamine (CID 119044456) is 5-N,5-N-dimethyl-2-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]pyridine-2,5-diamine.
What is the SMILES notation for 5-N,5-N-dimethyl-2-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]pyridine-2,5-diamine?
The canonical SMILES for 5-N,5-N-dimethyl-2-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]pyridine-2,5-diamine is CN(C)c1ccc(NCc2nc(-c3cnn(C)c3)cs2)nc1.
What is the InChIKey of 5-N,5-N-dimethyl-2-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]pyridine-2,5-diamine?
The InChIKey is HUPXBCGFSSCDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6S/c1-20(2)12-4-5-14(16-7-12)17-8-15-19-13(10-22-15)11-6-18-21(3)9-11/h4-7,9-10H,8H2,1-3H3,(H,16,17).
What are the key properties of 5-N,5-N-dimethyl-2-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]pyridine-2,5-diamine?
5-N,5-N-dimethyl-2-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]pyridine-2,5-diamine has a molecular weight of 314.42 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,5-N-dimethyl-2-N-[[4-(1-methylpyrazol-4-yl)-1,3-thiazol-2-yl]methyl]pyridine-2,5-diamine is sourced from PubChem (CID 119044456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).