N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine

C13H20N4OS — CID 43728881

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCOCCn1cc(NC(C)c2nc(C)sc2C)cn1
InChIInChI=1S/C13H20N4OS/c1-9(13-10(2)19-11(3)16-13)15-12-7-14-17(8-12)5-6-18-4/h7-9,15H,5-6H2,1-4H3
InChIKeySXDNKPXXELTAEV-UHFFFAOYSA-N
MW280.40 g/mol
LogP2.78
Rot. Bonds6

About N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine (PubChem CID 43728881) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine
PubChem CID43728881
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine
SMILESCOCCn1cc(NC(C)c2nc(C)sc2C)cn1
InChIInChI=1S/C13H20N4OS/c1-9(13-10(2)19-11(3)16-13)15-12-7-14-17(8-12)5-6-18-4/h7-9,15H,5-6H2,1-4H3
InChIKeySXDNKPXXELTAEV-UHFFFAOYSA-N
XLogP2.78
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine (CID 43728881) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine is COCCn1cc(NC(C)c2nc(C)sc2C)cn1.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine?
The InChIKey is SXDNKPXXELTAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-9(13-10(2)19-11(3)16-13)15-12-7-14-17(8-12)5-6-18-4/h7-9,15H,5-6H2,1-4H3.
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine has a molecular weight of 280.40 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-1-(2-methoxyethyl)pyrazol-4-amine is sourced from PubChem (CID 43728881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).