5-methyl-1-(oxan-4-yl)-N-[1-(1,3-thiazol-2-yl)propyl]pyrazol-4-amine

C15H22N4OS — CID 167774575

IUPAC5-methyl-1-(oxan-4-yl)-N-[1-(1,3-thiazol-2-yl)propyl]pyrazol-4-amine
SMILESCCC(Nc1cnn(C2CCOCC2)c1C)c1nccs1
InChIInChI=1S/C15H22N4OS/c1-3-13(15-16-6-9-21-15)18-14-10-17-19(11(14)2)12-4-7-20-8-5-12/h6,9-10,12-13,18H,3-5,7-8H2,1-2H3
InChIKeyGTPLHQIHSNMGMU-UHFFFAOYSA-N
MW306.44 g/mol
LogP3.56
Rot. Bonds5

About 5-methyl-1-(oxan-4-yl)-N-[1-(1,3-thiazol-2-yl)propyl]pyrazol-4-amine

5-methyl-1-(oxan-4-yl)-N-[1-(1,3-thiazol-2-yl)propyl]pyrazol-4-amine (PubChem CID 167774575) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 5-methyl-1-(oxan-4-yl)-N-[1-(1,3-thiazol-2-yl)propyl]pyrazol-4-amine.

Molecular Properties

Compound Name5-methyl-1-(oxan-4-yl)-N-[1-(1,3-thiazol-2-yl)propyl]pyrazol-4-amine
PubChem CID167774575
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name5-methyl-1-(oxan-4-yl)-N-[1-(1,3-thiazol-2-yl)propyl]pyrazol-4-amine
SMILESCCC(Nc1cnn(C2CCOCC2)c1C)c1nccs1
InChIInChI=1S/C15H22N4OS/c1-3-13(15-16-6-9-21-15)18-14-10-17-19(11(14)2)12-4-7-20-8-5-12/h6,9-10,12-13,18H,3-5,7-8H2,1-2H3
InChIKeyGTPLHQIHSNMGMU-UHFFFAOYSA-N
XLogP3.56
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(oxan-4-yl)-N-[1-(1,3-thiazol-2-yl)propyl]pyrazol-4-amine?
The IUPAC name of 5-methyl-1-(oxan-4-yl)-N-[1-(1,3-thiazol-2-yl)propyl]pyrazol-4-amine (CID 167774575) is 5-methyl-1-(oxan-4-yl)-N-[1-(1,3-thiazol-2-yl)propyl]pyrazol-4-amine.
What is the SMILES notation for 5-methyl-1-(oxan-4-yl)-N-[1-(1,3-thiazol-2-yl)propyl]pyrazol-4-amine?
The canonical SMILES for 5-methyl-1-(oxan-4-yl)-N-[1-(1,3-thiazol-2-yl)propyl]pyrazol-4-amine is CCC(Nc1cnn(C2CCOCC2)c1C)c1nccs1.
What is the InChIKey of 5-methyl-1-(oxan-4-yl)-N-[1-(1,3-thiazol-2-yl)propyl]pyrazol-4-amine?
The InChIKey is GTPLHQIHSNMGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-3-13(15-16-6-9-21-15)18-14-10-17-19(11(14)2)12-4-7-20-8-5-12/h6,9-10,12-13,18H,3-5,7-8H2,1-2H3.
What are the key properties of 5-methyl-1-(oxan-4-yl)-N-[1-(1,3-thiazol-2-yl)propyl]pyrazol-4-amine?
5-methyl-1-(oxan-4-yl)-N-[1-(1,3-thiazol-2-yl)propyl]pyrazol-4-amine has a molecular weight of 306.44 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(oxan-4-yl)-N-[1-(1,3-thiazol-2-yl)propyl]pyrazol-4-amine is sourced from PubChem (CID 167774575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).