1-methyl-3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]urea

C8H13N5OS — CID 136540782

IUPAC1-methyl-3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]urea
SMILESCNC(=O)NC1CN(c2nc(C)ns2)C1
InChIInChI=1S/C8H13N5OS/c1-5-10-8(15-12-5)13-3-6(4-13)11-7(14)9-2/h6H,3-4H2,1-2H3,(H2,9,11,14)
InChIKeyMTMLNRKASPLHKC-UHFFFAOYSA-N
MW227.29 g/mol
LogP-0.04
Rot. Bonds2

About 1-methyl-3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]urea

1-methyl-3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]urea (PubChem CID 136540782) has the molecular formula C8H13N5OS and a molecular weight of 227.29 g/mol. Its IUPAC name is 1-methyl-3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]urea.

Molecular Properties

Compound Name1-methyl-3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]urea
PubChem CID136540782
Molecular FormulaC8H13N5OS
Molecular Weight227.29 g/mol
Exact Mass227.08
IUPAC Name1-methyl-3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]urea
SMILESCNC(=O)NC1CN(c2nc(C)ns2)C1
InChIInChI=1S/C8H13N5OS/c1-5-10-8(15-12-5)13-3-6(4-13)11-7(14)9-2/h6H,3-4H2,1-2H3,(H2,9,11,14)
InChIKeyMTMLNRKASPLHKC-UHFFFAOYSA-N
XLogP-0.04
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]urea?
The IUPAC name of 1-methyl-3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]urea (CID 136540782) is 1-methyl-3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]urea.
What is the SMILES notation for 1-methyl-3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]urea?
The canonical SMILES for 1-methyl-3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]urea is CNC(=O)NC1CN(c2nc(C)ns2)C1.
What is the InChIKey of 1-methyl-3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]urea?
The InChIKey is MTMLNRKASPLHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5OS/c1-5-10-8(15-12-5)13-3-6(4-13)11-7(14)9-2/h6H,3-4H2,1-2H3,(H2,9,11,14).
What are the key properties of 1-methyl-3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]urea?
1-methyl-3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]urea has a molecular weight of 227.29 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-(3-methyl-1,2,4-thiadiazol-5-yl)azetidin-3-yl]urea is sourced from PubChem (CID 136540782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).