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

IUPAC1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-ol
SMILESCc1ncsc1CN(C)CC(O)Cn1nc(C)c(N)c1C
InChIInChI=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
InChIKeyRUZBTFXUFHCQLS-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.34
Rot. Bonds6

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 Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-ol
PubChem CID63947273
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-2-ol
SMILESCc1ncsc1CN(C)CC(O)Cn1nc(C)c(N)c1C
InChIInChI=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
InChIKeyRUZBTFXUFHCQLS-UHFFFAOYSA-N
XLogP1.34
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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).