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

C10H13N3S2 — CID 62963186

IUPAC4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCCc1csc(NCc2nc(C)cs2)n1
InChIInChI=1S/C10H13N3S2/c1-3-8-6-15-10(13-8)11-4-9-12-7(2)5-14-9/h5-6H,3-4H2,1-2H3,(H,11,13)
InChIKeyCXZUEVWCWGTOGJ-UHFFFAOYSA-N
MW239.37 g/mol
LogP3.08
Rot. Bonds4

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

4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 62963186) has the molecular formula C10H13N3S2 and a molecular weight of 239.37 g/mol. Its IUPAC name is 4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine
PubChem CID62963186
Molecular FormulaC10H13N3S2
Molecular Weight239.37 g/mol
Exact Mass239.06
IUPAC Name4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine
SMILESCCc1csc(NCc2nc(C)cs2)n1
InChIInChI=1S/C10H13N3S2/c1-3-8-6-15-10(13-8)11-4-9-12-7(2)5-14-9/h5-6H,3-4H2,1-2H3,(H,11,13)
InChIKeyCXZUEVWCWGTOGJ-UHFFFAOYSA-N
XLogP3.08
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine (CID 62963186) is 4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine is CCc1csc(NCc2nc(C)cs2)n1.
What is the InChIKey of 4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is CXZUEVWCWGTOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S2/c1-3-8-6-15-10(13-8)11-4-9-12-7(2)5-14-9/h5-6H,3-4H2,1-2H3,(H,11,13).
What are the key properties of 4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine?
4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 239.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62963186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).