(3-methoxy-1,2-thiazol-5-yl)methylurea

C6H9N3O2S — CID 23089221

IUPAC(3-methoxy-1,2-thiazol-5-yl)methylurea
SMILESCOc1cc(CNC(N)=O)sn1
InChIInChI=1S/C6H9N3O2S/c1-11-5-2-4(12-9-5)3-8-6(7)10/h2H,3H2,1H3,(H3,7,8,10)
InChIKeyRKVVDCBUIVKMSM-UHFFFAOYSA-N
MW187.22 g/mol
LogP0.32
Rot. Bonds3

About (3-methoxy-1,2-thiazol-5-yl)methylurea

(3-methoxy-1,2-thiazol-5-yl)methylurea (PubChem CID 23089221) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is (3-methoxy-1,2-thiazol-5-yl)methylurea.

Molecular Properties

Compound Name(3-methoxy-1,2-thiazol-5-yl)methylurea
PubChem CID23089221
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC Name(3-methoxy-1,2-thiazol-5-yl)methylurea
SMILESCOc1cc(CNC(N)=O)sn1
InChIInChI=1S/C6H9N3O2S/c1-11-5-2-4(12-9-5)3-8-6(7)10/h2H,3H2,1H3,(H3,7,8,10)
InChIKeyRKVVDCBUIVKMSM-UHFFFAOYSA-N
XLogP0.32
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-1,2-thiazol-5-yl)methylurea?
The IUPAC name of (3-methoxy-1,2-thiazol-5-yl)methylurea (CID 23089221) is (3-methoxy-1,2-thiazol-5-yl)methylurea.
What is the SMILES notation for (3-methoxy-1,2-thiazol-5-yl)methylurea?
The canonical SMILES for (3-methoxy-1,2-thiazol-5-yl)methylurea is COc1cc(CNC(N)=O)sn1.
What is the InChIKey of (3-methoxy-1,2-thiazol-5-yl)methylurea?
The InChIKey is RKVVDCBUIVKMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c1-11-5-2-4(12-9-5)3-8-6(7)10/h2H,3H2,1H3,(H3,7,8,10).
What are the key properties of (3-methoxy-1,2-thiazol-5-yl)methylurea?
(3-methoxy-1,2-thiazol-5-yl)methylurea has a molecular weight of 187.22 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-1,2-thiazol-5-yl)methylurea is sourced from PubChem (CID 23089221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).