(1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine

C15H24N4S — CID 97108451

IUPAC(1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine
SMILESCc1nc(C(C)C)sc1[C@H](C)NCc1cnn(C)c1C
InChIInChI=1S/C15H24N4S/c1-9(2)15-18-11(4)14(20-15)10(3)16-7-13-8-17-19(6)12(13)5/h8-10,16H,7H2,1-6H3/t10-/m0/s1
InChIKeyDFRWWAXACNANAN-JTQLQIEISA-N
MW292.45 g/mol
LogP3.47
Rot. Bonds5

About (1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine

(1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine (PubChem CID 97108451) has the molecular formula C15H24N4S and a molecular weight of 292.45 g/mol. Its IUPAC name is (1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine
PubChem CID97108451
Molecular FormulaC15H24N4S
Molecular Weight292.45 g/mol
Exact Mass292.17
IUPAC Name(1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine
SMILESCc1nc(C(C)C)sc1[C@H](C)NCc1cnn(C)c1C
InChIInChI=1S/C15H24N4S/c1-9(2)15-18-11(4)14(20-15)10(3)16-7-13-8-17-19(6)12(13)5/h8-10,16H,7H2,1-6H3/t10-/m0/s1
InChIKeyDFRWWAXACNANAN-JTQLQIEISA-N
XLogP3.47
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine 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 (1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of (1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine (CID 97108451) is (1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for (1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for (1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine is Cc1nc(C(C)C)sc1[C@H](C)NCc1cnn(C)c1C.
What is the InChIKey of (1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is DFRWWAXACNANAN-JTQLQIEISA-N. The full InChI is InChI=1S/C15H24N4S/c1-9(2)15-18-11(4)14(20-15)10(3)16-7-13-8-17-19(6)12(13)5/h8-10,16H,7H2,1-6H3/t10-/m0/s1.
What are the key properties of (1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine?
(1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 292.45 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 97108451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).