3,5-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazol-4-amine

C14H22N4S — CID 54866531

IUPAC3,5-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazol-4-amine
SMILESCc1ncsc1C(C)Nc1c(C)nn(C(C)C)c1C
InChIInChI=1S/C14H22N4S/c1-8(2)18-12(6)13(9(3)17-18)16-11(5)14-10(4)15-7-19-14/h7-8,11,16H,1-6H3
InChIKeyDUEBJRPQVWABEE-UHFFFAOYSA-N
MW278.43 g/mol
LogP4.02
Rot. Bonds4

About 3,5-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazol-4-amine

3,5-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazol-4-amine (PubChem CID 54866531) has the molecular formula C14H22N4S and a molecular weight of 278.43 g/mol. Its IUPAC name is 3,5-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazol-4-amine
PubChem CID54866531
Molecular FormulaC14H22N4S
Molecular Weight278.43 g/mol
Exact Mass278.16
IUPAC Name3,5-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazol-4-amine
SMILESCc1ncsc1C(C)Nc1c(C)nn(C(C)C)c1C
InChIInChI=1S/C14H22N4S/c1-8(2)18-12(6)13(9(3)17-18)16-11(5)14-10(4)15-7-19-14/h7-8,11,16H,1-6H3
InChIKeyDUEBJRPQVWABEE-UHFFFAOYSA-N
XLogP4.02
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazol-4-amine (CID 54866531) is 3,5-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazol-4-amine is Cc1ncsc1C(C)Nc1c(C)nn(C(C)C)c1C.
What is the InChIKey of 3,5-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazol-4-amine?
The InChIKey is DUEBJRPQVWABEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4S/c1-8(2)18-12(6)13(9(3)17-18)16-11(5)14-10(4)15-7-19-14/h7-8,11,16H,1-6H3.
What are the key properties of 3,5-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazol-4-amine?
3,5-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazol-4-amine has a molecular weight of 278.43 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 54866531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).