1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-ol

C14H23N5OS — CID 63947273

About 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-ol

1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-ol (PubChem CID 63947273) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-ol.

Molecular Properties

• Compound Name: 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-ol
• PubChem CID: 63947273
• Molecular Formula: C14H23N5OS
• Molecular Weight: 309.44 g/mol
• Exact Mass: 309.16
• IUPAC Name: 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-ol
• SMILES: Cc1ncsc1CN(C)CC(O)Cn1nc(C)c(N)c1C
• InChI: InChI=1S/C14H23N5OS/c1-9-13(21-8-16-9)7-18(4)5-12(20)6-19-11(3)14(15)10(2)17-19/h8,12,20H,5-7,15H2,1-4H3
• InChIKey: RUZBTFXUFHCQLS-UHFFFAOYSA-N
• XLogP: 1.34
• TPSA: 80.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	309.44
LogP ≤ 5	1.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-ol?

The IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-ol (CID 63947273) is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-ol.

What is the SMILES notation for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-ol?

The canonical SMILES for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-ol is Cc1ncsc1CN(C)CC(O)Cn1nc(C)c(N)c1C.

What is the InChIKey of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-ol?

The InChIKey is RUZBTFXUFHCQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-9-13(21-8-16-9)7-18(4)5-12(20)6-19-11(3)14(15)10(2)17-19/h8,12,20H,5-7,15H2,1-4H3.

What are the key properties of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-ol?

1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-ol has a molecular weight of 309.44 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-ol is sourced from PubChem (CID 63947273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).