1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-methylurea

C10H17N3OS — CID 56823204

IUPAC1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-methylurea
SMILESCCc1nc(CCNC(=O)NC)sc1C
InChIInChI=1S/C10H17N3OS/c1-4-8-7(2)15-9(13-8)5-6-12-10(14)11-3/h4-6H2,1-3H3,(H2,11,12,14)
InChIKeyXNCVSPGFQQSOOQ-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.49
Rot. Bonds4

About 1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-methylurea

1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-methylurea (PubChem CID 56823204) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-methylurea.

Molecular Properties

Compound Name1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-methylurea
PubChem CID56823204
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-methylurea
SMILESCCc1nc(CCNC(=O)NC)sc1C
InChIInChI=1S/C10H17N3OS/c1-4-8-7(2)15-9(13-8)5-6-12-10(14)11-3/h4-6H2,1-3H3,(H2,11,12,14)
InChIKeyXNCVSPGFQQSOOQ-UHFFFAOYSA-N
XLogP1.49
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-methylurea?
The IUPAC name of 1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-methylurea (CID 56823204) is 1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-methylurea.
What is the SMILES notation for 1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-methylurea?
The canonical SMILES for 1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-methylurea is CCc1nc(CCNC(=O)NC)sc1C.
What is the InChIKey of 1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-methylurea?
The InChIKey is XNCVSPGFQQSOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-4-8-7(2)15-9(13-8)5-6-12-10(14)11-3/h4-6H2,1-3H3,(H2,11,12,14).
What are the key properties of 1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-methylurea?
1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-methylurea has a molecular weight of 227.33 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-methylurea is sourced from PubChem (CID 56823204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).