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

C7H11N3OS — CID 115603490

IUPAC1-ethyl-1-methyl-3-(1,3-thiazol-2-yl)urea
SMILESCCN(C)C(=O)Nc1nccs1
InChIInChI=1S/C7H11N3OS/c1-3-10(2)7(11)9-6-8-4-5-12-6/h4-5H,3H2,1-2H3,(H,8,9,11)
InChIKeyABZZBTIIIHALIR-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.63
Rot. Bonds2

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

1-ethyl-1-methyl-3-(1,3-thiazol-2-yl)urea (PubChem CID 115603490) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 1-ethyl-1-methyl-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-ethyl-1-methyl-3-(1,3-thiazol-2-yl)urea
PubChem CID115603490
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name1-ethyl-1-methyl-3-(1,3-thiazol-2-yl)urea
SMILESCCN(C)C(=O)Nc1nccs1
InChIInChI=1S/C7H11N3OS/c1-3-10(2)7(11)9-6-8-4-5-12-6/h4-5H,3H2,1-2H3,(H,8,9,11)
InChIKeyABZZBTIIIHALIR-UHFFFAOYSA-N
XLogP1.63
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-1-prop-2-enyl-3-(1,3-thiazol-2-yl)urea
CID 131176329
1-ethyl-1,3-bis(1,3-thiazol-2-yl)urea
CID 139636454
1-benzyl-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 127514333
1-(2-hydroxy-3-methoxypropyl)-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 86827257
1-methyl-1-nitroso-3-(1,3-thiazol-2-yl)urea;dihydrochloride
CID 174438670
1-methyl-1-phenyl-3-(1,3-thiazol-2-yl)urea
CID 34880183
2-[methyl(1,3-thiazol-2-ylcarbamoyl)amino]propanoic acid
CID 62625896
1-(1,3-benzothiazol-2-ylmethyl)-1-methyl-3-(1,3-thiazol-2-yl)urea
CID 47148467
N,N-diethylethanamine;1,3-thiazol-2-ylcarbamodithioic acid
CID 12657202
3-oxo-N-(1,3-thiazol-2-yl)pentanamide
CID 59660018
N-(1,3-thiazol-2-ylcarbamothioyl)propanamide
CID 916869
molecular hydrogen;N-(1,3-thiazol-2-yl)acetamide
CID 143921220

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methyl-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-ethyl-1-methyl-3-(1,3-thiazol-2-yl)urea (CID 115603490) is 1-ethyl-1-methyl-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-ethyl-1-methyl-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-ethyl-1-methyl-3-(1,3-thiazol-2-yl)urea is CCN(C)C(=O)Nc1nccs1.
What is the InChIKey of 1-ethyl-1-methyl-3-(1,3-thiazol-2-yl)urea?
The InChIKey is ABZZBTIIIHALIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-3-10(2)7(11)9-6-8-4-5-12-6/h4-5H,3H2,1-2H3,(H,8,9,11).
What are the key properties of 1-ethyl-1-methyl-3-(1,3-thiazol-2-yl)urea?
1-ethyl-1-methyl-3-(1,3-thiazol-2-yl)urea has a molecular weight of 185.25 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methyl-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 115603490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).