1-cycloheptyl-1-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea

C12H20N4OS — CID 46985119

IUPAC1-cycloheptyl-1-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
SMILESCc1nsc(NC(=O)N(C)C2CCCCCC2)n1
InChIInChI=1S/C12H20N4OS/c1-9-13-11(18-15-9)14-12(17)16(2)10-7-5-3-4-6-8-10/h10H,3-8H2,1-2H3,(H,13,14,15,17)
InChIKeySEGOVKUULXTPSU-UHFFFAOYSA-N
MW268.39 g/mol
LogP3.03
Rot. Bonds2

About 1-cycloheptyl-1-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea

1-cycloheptyl-1-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea (PubChem CID 46985119) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 1-cycloheptyl-1-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-cycloheptyl-1-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
PubChem CID46985119
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name1-cycloheptyl-1-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea
SMILESCc1nsc(NC(=O)N(C)C2CCCCCC2)n1
InChIInChI=1S/C12H20N4OS/c1-9-13-11(18-15-9)14-12(17)16(2)10-7-5-3-4-6-8-10/h10H,3-8H2,1-2H3,(H,13,14,15,17)
InChIKeySEGOVKUULXTPSU-UHFFFAOYSA-N
XLogP3.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-1-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea?
The IUPAC name of 1-cycloheptyl-1-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea (CID 46985119) is 1-cycloheptyl-1-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea.
What is the SMILES notation for 1-cycloheptyl-1-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea?
The canonical SMILES for 1-cycloheptyl-1-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea is Cc1nsc(NC(=O)N(C)C2CCCCCC2)n1.
What is the InChIKey of 1-cycloheptyl-1-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea?
The InChIKey is SEGOVKUULXTPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-9-13-11(18-15-9)14-12(17)16(2)10-7-5-3-4-6-8-10/h10H,3-8H2,1-2H3,(H,13,14,15,17).
What are the key properties of 1-cycloheptyl-1-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea?
1-cycloheptyl-1-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea has a molecular weight of 268.39 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-1-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)urea is sourced from PubChem (CID 46985119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).