1-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea

C7H11N3O2S — CID 130678537

IUPAC1-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
SMILESCONC(=O)NCc1ncc(C)s1
InChIInChI=1S/C7H11N3O2S/c1-5-3-8-6(13-5)4-9-7(11)10-12-2/h3H,4H2,1-2H3,(H2,9,10,11)
InChIKeyOURHOEDQUIPDSF-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.81
Rot. Bonds3

About 1-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea

1-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea (PubChem CID 130678537) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 1-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
PubChem CID130678537
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name1-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
SMILESCONC(=O)NCc1ncc(C)s1
InChIInChI=1S/C7H11N3O2S/c1-5-3-8-6(13-5)4-9-7(11)10-12-2/h3H,4H2,1-2H3,(H2,9,10,11)
InChIKeyOURHOEDQUIPDSF-UHFFFAOYSA-N
XLogP0.81
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(5-methyl-1,3-thiazol-2-yl)methylurea
CID 103708250
1-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 103814757
3-methoxy-4-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]butanoic acid
CID 114128717
1-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 103814785
3-amino-3-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 103814782
1-[(2S)-3,3-dimethylbutan-2-yl]-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 97008333
1-(3,3-dimethylbutan-2-yl)-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 71868255
1,1-diethyl-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea
CID 103697870
(2S)-2-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 103814809
4-amino-N-[(5-methyl-1,3-thiazol-2-yl)methyl]butanamide
CID 103814822
2-methyl-3-[(5-methyl-1,3-thiazol-2-yl)methylcarbamoylamino]butanoic acid
CID 114128695
N-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrazine-2-carboxamide
CID 110746419

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea?
The IUPAC name of 1-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea (CID 130678537) is 1-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea.
What is the SMILES notation for 1-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea?
The canonical SMILES for 1-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea is CONC(=O)NCc1ncc(C)s1.
What is the InChIKey of 1-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea?
The InChIKey is OURHOEDQUIPDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-5-3-8-6(13-5)4-9-7(11)10-12-2/h3H,4H2,1-2H3,(H2,9,10,11).
What are the key properties of 1-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea?
1-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea has a molecular weight of 201.25 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[(5-methyl-1,3-thiazol-2-yl)methyl]urea is sourced from PubChem (CID 130678537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).