2-methylpropyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate

C9H15N3O2S — CID 18877667

IUPAC2-methylpropyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate
SMILESCCc1nnc(NC(=O)OCC(C)C)s1
InChIInChI=1S/C9H15N3O2S/c1-4-7-11-12-8(15-7)10-9(13)14-5-6(2)3/h6H,4-5H2,1-3H3,(H,10,12,13)
InChIKeyJCRMBMBCBLRHSX-UHFFFAOYSA-N
MW229.30 g/mol
LogP2.31
Rot. Bonds4

About 2-methylpropyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate

2-methylpropyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate (PubChem CID 18877667) has the molecular formula C9H15N3O2S and a molecular weight of 229.30 g/mol. Its IUPAC name is 2-methylpropyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate
PubChem CID18877667
Molecular FormulaC9H15N3O2S
Molecular Weight229.30 g/mol
Exact Mass229.09
IUPAC Name2-methylpropyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate
SMILESCCc1nnc(NC(=O)OCC(C)C)s1
InChIInChI=1S/C9H15N3O2S/c1-4-7-11-12-8(15-7)10-9(13)14-5-6(2)3/h6H,4-5H2,1-3H3,(H,10,12,13)
InChIKeyJCRMBMBCBLRHSX-UHFFFAOYSA-N
XLogP2.31
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylpropyl N-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]carbamate
CID 811180
2-methylpropyl N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)carbamate
CID 108744061
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-hydrazinyl-2-sulfanylideneacetamide
CID 172909172
ethyl N-(5-butyl-1,3,4-thiadiazol-2-yl)carbamate
CID 121088928
2-methylpropyl N-[5-(2-phenylethenyl)-1,3,4-thiadiazol-2-yl]carbamate
CID 3467248
2-cyano-N-(5-ethyl-1,3,4-thiadiazol-2-yl)propanamide
CID 103668444
2-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3,3-dimethylbutanamide
CID 103827482
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide
CID 692810
4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 107641479
ethyl 4-[(5-ethyl-1,3,4-thiadiazol-2-yl)amino]-4-oxobutanoate
CID 54787271
pentyl N-(5-pentyl-1,3,4-thiadiazol-2-yl)carbamate
CID 2207802
3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)pentanamide
CID 107641923

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate?
The IUPAC name of 2-methylpropyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate (CID 18877667) is 2-methylpropyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate?
The canonical SMILES for 2-methylpropyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate is CCc1nnc(NC(=O)OCC(C)C)s1.
What is the InChIKey of 2-methylpropyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate?
The InChIKey is JCRMBMBCBLRHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2S/c1-4-7-11-12-8(15-7)10-9(13)14-5-6(2)3/h6H,4-5H2,1-3H3,(H,10,12,13).
What are the key properties of 2-methylpropyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate?
2-methylpropyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate has a molecular weight of 229.30 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate is sourced from PubChem (CID 18877667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).