4,4-diethyl-N-(1-methylpyrazol-3-yl)-5H-1,3-thiazol-2-amine

C11H18N4S — CID 62519245

IUPAC4,4-diethyl-N-(1-methylpyrazol-3-yl)-5H-1,3-thiazol-2-amine
SMILESCCC1(CC)CSC(Nc2ccn(C)n2)=N1
InChIInChI=1S/C11H18N4S/c1-4-11(5-2)8-16-10(13-11)12-9-6-7-15(3)14-9/h6-7H,4-5,8H2,1-3H3,(H,12,13,14)
InChIKeyXUWAKZPQMRPYHU-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.49
Rot. Bonds3

About 4,4-diethyl-N-(1-methylpyrazol-3-yl)-5H-1,3-thiazol-2-amine

4,4-diethyl-N-(1-methylpyrazol-3-yl)-5H-1,3-thiazol-2-amine (PubChem CID 62519245) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 4,4-diethyl-N-(1-methylpyrazol-3-yl)-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,4-diethyl-N-(1-methylpyrazol-3-yl)-5H-1,3-thiazol-2-amine
PubChem CID62519245
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name4,4-diethyl-N-(1-methylpyrazol-3-yl)-5H-1,3-thiazol-2-amine
SMILESCCC1(CC)CSC(Nc2ccn(C)n2)=N1
InChIInChI=1S/C11H18N4S/c1-4-11(5-2)8-16-10(13-11)12-9-6-7-15(3)14-9/h6-7H,4-5,8H2,1-3H3,(H,12,13,14)
InChIKeyXUWAKZPQMRPYHU-UHFFFAOYSA-N
XLogP2.49
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4-diethyl-N-(1-methylpyrazol-3-yl)-5H-1,3-thiazol-2-amine?
The IUPAC name of 4,4-diethyl-N-(1-methylpyrazol-3-yl)-5H-1,3-thiazol-2-amine (CID 62519245) is 4,4-diethyl-N-(1-methylpyrazol-3-yl)-5H-1,3-thiazol-2-amine.
What is the SMILES notation for 4,4-diethyl-N-(1-methylpyrazol-3-yl)-5H-1,3-thiazol-2-amine?
The canonical SMILES for 4,4-diethyl-N-(1-methylpyrazol-3-yl)-5H-1,3-thiazol-2-amine is CCC1(CC)CSC(Nc2ccn(C)n2)=N1.
What is the InChIKey of 4,4-diethyl-N-(1-methylpyrazol-3-yl)-5H-1,3-thiazol-2-amine?
The InChIKey is XUWAKZPQMRPYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-4-11(5-2)8-16-10(13-11)12-9-6-7-15(3)14-9/h6-7H,4-5,8H2,1-3H3,(H,12,13,14).
What are the key properties of 4,4-diethyl-N-(1-methylpyrazol-3-yl)-5H-1,3-thiazol-2-amine?
4,4-diethyl-N-(1-methylpyrazol-3-yl)-5H-1,3-thiazol-2-amine has a molecular weight of 238.36 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethyl-N-(1-methylpyrazol-3-yl)-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 62519245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).