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

C6H8ClN3OS — CID 71372718

IUPAC1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylurea
SMILESCNC(=O)NCc1cnc(Cl)s1
InChIInChI=1S/C6H8ClN3OS/c1-8-6(11)10-3-4-2-9-5(7)12-4/h2H,3H2,1H3,(H2,8,10,11)
InChIKeyMGFSUYNSKZUJOH-UHFFFAOYSA-N
MW205.67 g/mol
LogP1.23
Rot. Bonds2

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

1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylurea (PubChem CID 71372718) has the molecular formula C6H8ClN3OS and a molecular weight of 205.67 g/mol. Its IUPAC name is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylurea.

Molecular Properties

Compound Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylurea
PubChem CID71372718
Molecular FormulaC6H8ClN3OS
Molecular Weight205.67 g/mol
Exact Mass205.01
IUPAC Name1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylurea
SMILESCNC(=O)NCc1cnc(Cl)s1
InChIInChI=1S/C6H8ClN3OS/c1-8-6(11)10-3-4-2-9-5(7)12-4/h2H,3H2,1H3,(H2,8,10,11)
InChIKeyMGFSUYNSKZUJOH-UHFFFAOYSA-N
XLogP1.23
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.67
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylurea?
The IUPAC name of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylurea (CID 71372718) is 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylurea.
What is the SMILES notation for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylurea?
The canonical SMILES for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylurea is CNC(=O)NCc1cnc(Cl)s1.
What is the InChIKey of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylurea?
The InChIKey is MGFSUYNSKZUJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3OS/c1-8-6(11)10-3-4-2-9-5(7)12-4/h2H,3H2,1H3,(H2,8,10,11).
What are the key properties of 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylurea?
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylurea has a molecular weight of 205.67 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methylurea is sourced from PubChem (CID 71372718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).