4-[[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine

C15H25N5S — CID 94824212

IUPAC4-[[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
SMILESCc1nc(C)c([C@H](C)NCc2c(C)nn(C)c2N(C)C)s1
InChIInChI=1S/C15H25N5S/c1-9-13(15(19(5)6)20(7)18-9)8-16-10(2)14-11(3)17-12(4)21-14/h10,16H,8H2,1-7H3/t10-/m0/s1
InChIKeyJMEBOFLBOSHVTO-JTQLQIEISA-N
MW307.47 g/mol
LogP2.72
Rot. Bonds5

About 4-[[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine

4-[[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine (PubChem CID 94824212) has the molecular formula C15H25N5S and a molecular weight of 307.47 g/mol. Its IUPAC name is 4-[[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine.

Molecular Properties

Compound Name4-[[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
PubChem CID94824212
Molecular FormulaC15H25N5S
Molecular Weight307.47 g/mol
Exact Mass307.18
IUPAC Name4-[[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine
SMILESCc1nc(C)c([C@H](C)NCc2c(C)nn(C)c2N(C)C)s1
InChIInChI=1S/C15H25N5S/c1-9-13(15(19(5)6)20(7)18-9)8-16-10(2)14-11(3)17-12(4)21-14/h10,16H,8H2,1-7H3/t10-/m0/s1
InChIKeyJMEBOFLBOSHVTO-JTQLQIEISA-N
XLogP2.72
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.47
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The IUPAC name of 4-[[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine (CID 94824212) is 4-[[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine.
What is the SMILES notation for 4-[[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The canonical SMILES for 4-[[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine is Cc1nc(C)c([C@H](C)NCc2c(C)nn(C)c2N(C)C)s1.
What is the InChIKey of 4-[[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
The InChIKey is JMEBOFLBOSHVTO-JTQLQIEISA-N. The full InChI is InChI=1S/C15H25N5S/c1-9-13(15(19(5)6)20(7)18-9)8-16-10(2)14-11(3)17-12(4)21-14/h10,16H,8H2,1-7H3/t10-/m0/s1.
What are the key properties of 4-[[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine?
4-[[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine has a molecular weight of 307.47 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]amino]methyl]-N,N,1,3-tetramethylpyrazol-5-amine is sourced from PubChem (CID 94824212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).