methyl N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]carbamate

C7H11N3O2S — CID 110870268

IUPACmethyl N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]carbamate
SMILESCOC(=O)NCCc1nnc(C)s1
InChIInChI=1S/C7H11N3O2S/c1-5-9-10-6(13-5)3-4-8-7(11)12-2/h3-4H2,1-2H3,(H,8,11)
InChIKeyJKMLFLMJABTZSZ-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.75
Rot. Bonds3

About methyl N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]carbamate

methyl N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]carbamate (PubChem CID 110870268) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is methyl N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]carbamate
PubChem CID110870268
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Namemethyl N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]carbamate
SMILESCOC(=O)NCCc1nnc(C)s1
InChIInChI=1S/C7H11N3O2S/c1-5-9-10-6(13-5)3-4-8-7(11)12-2/h3-4H2,1-2H3,(H,8,11)
InChIKeyJKMLFLMJABTZSZ-UHFFFAOYSA-N
XLogP0.75
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]benzamide
CID 110870261
2-methoxy-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]quinoline-4-carboxamide
CID 119063740
4-methoxy-N-methyl-3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethylcarbamoylamino]benzamide
CID 74233553
methyl N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 110320279
3-(4-methylpyrazol-1-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide
CID 90652937
N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 90651661
1-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea
CID 72856962
(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide
CID 97200798
ethane;2-ethyl-5-methyl-1,3,4-thiadiazole;formaldehyde
CID 142566157
methyl 1-methyl-4-[3-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethylcarbamoyl]phenyl]pyrrole-2-carboxylate
CID 122569079
methyl N-[2-(3-methylthiophen-2-yl)ethyl]carbamate
CID 115190738
(3S)-1-cyclopropyl-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 97150664

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]carbamate?
The IUPAC name of methyl N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]carbamate (CID 110870268) is methyl N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]carbamate is COC(=O)NCCc1nnc(C)s1.
What is the InChIKey of methyl N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]carbamate?
The InChIKey is JKMLFLMJABTZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-5-9-10-6(13-5)3-4-8-7(11)12-2/h3-4H2,1-2H3,(H,8,11).
What are the key properties of methyl N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]carbamate?
methyl N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]carbamate has a molecular weight of 201.25 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 110870268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).