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

C9H15N3OS — CID 47228479

IUPAC1-ethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCCNC(=O)NCCc1nc(C)cs1
InChIInChI=1S/C9H15N3OS/c1-3-10-9(13)11-5-4-8-12-7(2)6-14-8/h6H,3-5H2,1-2H3,(H2,10,11,13)
InChIKeyBCWWHKBXQLGGCY-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.31
Rot. Bonds4

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

1-ethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea (PubChem CID 47228479) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 1-ethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
PubChem CID47228479
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name1-ethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
SMILESCCNC(=O)NCCc1nc(C)cs1
InChIInChI=1S/C9H15N3OS/c1-3-10-9(13)11-5-4-8-12-7(2)6-14-8/h6H,3-5H2,1-2H3,(H2,10,11,13)
InChIKeyBCWWHKBXQLGGCY-UHFFFAOYSA-N
XLogP1.31
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 115579398
2-amino-2-ethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 79813428
2-methyl-4-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]butanoic acid
CID 80540928
1-[(2R)-3-methylbutan-2-yl]-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 94151930
2-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 63241165
2,2-dimethyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 39071901
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 39071897
4-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 63240888
2-methoxy-3-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 114144694
3-methyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]pentanoic acid
CID 63241161
(2R)-2-amino-4-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 95035833
1-cyclohexyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 39072001

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The IUPAC name of 1-ethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea (CID 47228479) is 1-ethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-ethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The canonical SMILES for 1-ethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea is CCNC(=O)NCCc1nc(C)cs1.
What is the InChIKey of 1-ethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
The InChIKey is BCWWHKBXQLGGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-3-10-9(13)11-5-4-8-12-7(2)6-14-8/h6H,3-5H2,1-2H3,(H2,10,11,13).
What are the key properties of 1-ethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea?
1-ethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea has a molecular weight of 213.31 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]urea is sourced from PubChem (CID 47228479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).