3-ethyl-N-[1-(3-methoxy-1,2-thiazol-4-yl)ethyl]-1-methylpyrazol-4-amine

C12H18N4OS — CID 139018917

IUPAC3-ethyl-N-[1-(3-methoxy-1,2-thiazol-4-yl)ethyl]-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NC(C)c1csnc1OC
InChIInChI=1S/C12H18N4OS/c1-5-10-11(6-16(3)14-10)13-8(2)9-7-18-15-12(9)17-4/h6-8,13H,5H2,1-4H3
InChIKeyRCBGKVIUFKWQFJ-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.62
Rot. Bonds5

About 3-ethyl-N-[1-(3-methoxy-1,2-thiazol-4-yl)ethyl]-1-methylpyrazol-4-amine

3-ethyl-N-[1-(3-methoxy-1,2-thiazol-4-yl)ethyl]-1-methylpyrazol-4-amine (PubChem CID 139018917) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 3-ethyl-N-[1-(3-methoxy-1,2-thiazol-4-yl)ethyl]-1-methylpyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-N-[1-(3-methoxy-1,2-thiazol-4-yl)ethyl]-1-methylpyrazol-4-amine
PubChem CID139018917
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name3-ethyl-N-[1-(3-methoxy-1,2-thiazol-4-yl)ethyl]-1-methylpyrazol-4-amine
SMILESCCc1nn(C)cc1NC(C)c1csnc1OC
InChIInChI=1S/C12H18N4OS/c1-5-10-11(6-16(3)14-10)13-8(2)9-7-18-15-12(9)17-4/h6-8,13H,5H2,1-4H3
InChIKeyRCBGKVIUFKWQFJ-UHFFFAOYSA-N
XLogP2.62
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[1-(3-methoxy-1,2-thiazol-4-yl)ethyl]-1-methylpyrazol-4-amine?
The IUPAC name of 3-ethyl-N-[1-(3-methoxy-1,2-thiazol-4-yl)ethyl]-1-methylpyrazol-4-amine (CID 139018917) is 3-ethyl-N-[1-(3-methoxy-1,2-thiazol-4-yl)ethyl]-1-methylpyrazol-4-amine.
What is the SMILES notation for 3-ethyl-N-[1-(3-methoxy-1,2-thiazol-4-yl)ethyl]-1-methylpyrazol-4-amine?
The canonical SMILES for 3-ethyl-N-[1-(3-methoxy-1,2-thiazol-4-yl)ethyl]-1-methylpyrazol-4-amine is CCc1nn(C)cc1NC(C)c1csnc1OC.
What is the InChIKey of 3-ethyl-N-[1-(3-methoxy-1,2-thiazol-4-yl)ethyl]-1-methylpyrazol-4-amine?
The InChIKey is RCBGKVIUFKWQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-5-10-11(6-16(3)14-10)13-8(2)9-7-18-15-12(9)17-4/h6-8,13H,5H2,1-4H3.
What are the key properties of 3-ethyl-N-[1-(3-methoxy-1,2-thiazol-4-yl)ethyl]-1-methylpyrazol-4-amine?
3-ethyl-N-[1-(3-methoxy-1,2-thiazol-4-yl)ethyl]-1-methylpyrazol-4-amine has a molecular weight of 266.37 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[1-(3-methoxy-1,2-thiazol-4-yl)ethyl]-1-methylpyrazol-4-amine is sourced from PubChem (CID 139018917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).