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

C12H18N4OS — CID 43729149

IUPAC1-(2-methoxyethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazol-4-amine
SMILESCOCCn1cc(NC(C)c2csc(C)n2)cn1
InChIInChI=1S/C12H18N4OS/c1-9(12-8-18-10(2)15-12)14-11-6-13-16(7-11)4-5-17-3/h6-9,14H,4-5H2,1-3H3
InChIKeyYBNQMKCPNWVZBW-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.47
Rot. Bonds6

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

1-(2-methoxyethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazol-4-amine (PubChem CID 43729149) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazol-4-amine
PubChem CID43729149
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC Name1-(2-methoxyethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazol-4-amine
SMILESCOCCn1cc(NC(C)c2csc(C)n2)cn1
InChIInChI=1S/C12H18N4OS/c1-9(12-8-18-10(2)15-12)14-11-6-13-16(7-11)4-5-17-3/h6-9,14H,4-5H2,1-3H3
InChIKeyYBNQMKCPNWVZBW-UHFFFAOYSA-N
XLogP2.47
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazol-4-amine?
The IUPAC name of 1-(2-methoxyethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazol-4-amine (CID 43729149) is 1-(2-methoxyethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-(2-methoxyethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazol-4-amine is COCCn1cc(NC(C)c2csc(C)n2)cn1.
What is the InChIKey of 1-(2-methoxyethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazol-4-amine?
The InChIKey is YBNQMKCPNWVZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-9(12-8-18-10(2)15-12)14-11-6-13-16(7-11)4-5-17-3/h6-9,14H,4-5H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazol-4-amine?
1-(2-methoxyethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazol-4-amine has a molecular weight of 266.37 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-[1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrazol-4-amine is sourced from PubChem (CID 43729149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).