4-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine

C14H23N5S — CID 91829188

IUPAC4-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(CN(C)CCCn2nc(C)cc2C)cs1
InChIInChI=1S/C14H23N5S/c1-11-8-12(2)19(17-11)7-5-6-18(4)9-13-10-20-14(15-3)16-13/h8,10H,5-7,9H2,1-4H3,(H,15,16)
InChIKeyWOXPGUQEJZWKJU-UHFFFAOYSA-N
MW293.44 g/mol
LogP2.52
Rot. Bonds7

About 4-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine

4-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 91829188) has the molecular formula C14H23N5S and a molecular weight of 293.44 g/mol. Its IUPAC name is 4-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID91829188
Molecular FormulaC14H23N5S
Molecular Weight293.44 g/mol
Exact Mass293.17
IUPAC Name4-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(CN(C)CCCn2nc(C)cc2C)cs1
InChIInChI=1S/C14H23N5S/c1-11-8-12(2)19(17-11)7-5-6-18(4)9-13-10-20-14(15-3)16-13/h8,10H,5-7,9H2,1-4H3,(H,15,16)
InChIKeyWOXPGUQEJZWKJU-UHFFFAOYSA-N
XLogP2.52
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine (CID 91829188) is 4-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine is CNc1nc(CN(C)CCCn2nc(C)cc2C)cs1.
What is the InChIKey of 4-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is WOXPGUQEJZWKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5S/c1-11-8-12(2)19(17-11)7-5-6-18(4)9-13-10-20-14(15-3)16-13/h8,10H,5-7,9H2,1-4H3,(H,15,16).
What are the key properties of 4-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine?
4-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 293.44 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 91829188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).