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

C13H18N4OS2 — CID 71932234

IUPAC1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCCc1nc(CNC(=O)NCCc2nc(C)cs2)cs1
InChIInChI=1S/C13H18N4OS2/c1-3-11-17-10(8-20-11)6-15-13(18)14-5-4-12-16-9(2)7-19-12/h7-8H,3-6H2,1-2H3,(H2,14,15,18)
InChIKeyBDWCMCTZSOZYSG-UHFFFAOYSA-N
MW310.45 g/mol
LogP2.51
Rot. Bonds6

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

1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 71932234) has the molecular formula C13H18N4OS2 and a molecular weight of 310.45 g/mol. Its IUPAC name is 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
PubChem CID71932234
Molecular FormulaC13H18N4OS2
Molecular Weight310.45 g/mol
Exact Mass310.09
IUPAC Name1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCCc1nc(CNC(=O)NCCc2nc(C)cs2)cs1
InChIInChI=1S/C13H18N4OS2/c1-3-11-17-10(8-20-11)6-15-13(18)14-5-4-12-16-9(2)7-19-12/h7-8H,3-6H2,1-2H3,(H2,14,15,18)
InChIKeyBDWCMCTZSOZYSG-UHFFFAOYSA-N
XLogP2.51
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea (CID 71932234) is 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea is CCc1nc(CNC(=O)NCCc2nc(C)cs2)cs1.
What is the InChIKey of 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is BDWCMCTZSOZYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS2/c1-3-11-17-10(8-20-11)6-15-13(18)14-5-4-12-16-9(2)7-19-12/h7-8H,3-6H2,1-2H3,(H2,14,15,18).
What are the key properties of 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 310.45 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 71932234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).