3-ethyl-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea

C10H17N3OS — CID 71981834

IUPAC3-ethyl-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea
SMILESCCNC(=O)N(C)Cc1ncc(CC)s1
InChIInChI=1S/C10H17N3OS/c1-4-8-6-12-9(15-8)7-13(3)10(14)11-5-2/h6H,4-5,7H2,1-3H3,(H,11,14)
InChIKeyBEHKCJPGVNJECH-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.87
Rot. Bonds4

About 3-ethyl-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea

3-ethyl-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea (PubChem CID 71981834) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-ethyl-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-ethyl-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea
PubChem CID71981834
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-ethyl-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea
SMILESCCNC(=O)N(C)Cc1ncc(CC)s1
InChIInChI=1S/C10H17N3OS/c1-4-8-6-12-9(15-8)7-13(3)10(14)11-5-2/h6H,4-5,7H2,1-3H3,(H,11,14)
InChIKeyBEHKCJPGVNJECH-UHFFFAOYSA-N
XLogP1.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea?
The IUPAC name of 3-ethyl-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea (CID 71981834) is 3-ethyl-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea.
What is the SMILES notation for 3-ethyl-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea?
The canonical SMILES for 3-ethyl-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea is CCNC(=O)N(C)Cc1ncc(CC)s1.
What is the InChIKey of 3-ethyl-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea?
The InChIKey is BEHKCJPGVNJECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-4-8-6-12-9(15-8)7-13(3)10(14)11-5-2/h6H,4-5,7H2,1-3H3,(H,11,14).
What are the key properties of 3-ethyl-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea?
3-ethyl-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea has a molecular weight of 227.33 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1-methylurea is sourced from PubChem (CID 71981834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).