2-methylbutan-2-yl N-(1,3,4-thiadiazol-2-yl)carbamate

C8H13N3O2S — CID 20501574

IUPAC2-methylbutan-2-yl N-(1,3,4-thiadiazol-2-yl)carbamate
SMILESCCC(C)(C)OC(=O)Nc1nncs1
InChIInChI=1S/C8H13N3O2S/c1-4-8(2,3)13-7(12)10-6-11-9-5-14-6/h5H,4H2,1-3H3,(H,10,11,12)
InChIKeyKRCGTZAUHKXENI-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.28
Rot. Bonds3

About 2-methylbutan-2-yl N-(1,3,4-thiadiazol-2-yl)carbamate

2-methylbutan-2-yl N-(1,3,4-thiadiazol-2-yl)carbamate (PubChem CID 20501574) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is 2-methylbutan-2-yl N-(1,3,4-thiadiazol-2-yl)carbamate.

Molecular Properties

Compound Name2-methylbutan-2-yl N-(1,3,4-thiadiazol-2-yl)carbamate
PubChem CID20501574
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC Name2-methylbutan-2-yl N-(1,3,4-thiadiazol-2-yl)carbamate
SMILESCCC(C)(C)OC(=O)Nc1nncs1
InChIInChI=1S/C8H13N3O2S/c1-4-8(2,3)13-7(12)10-6-11-9-5-14-6/h5H,4H2,1-3H3,(H,10,11,12)
InChIKeyKRCGTZAUHKXENI-UHFFFAOYSA-N
XLogP2.28
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 3453475
ethyl 2-[2-(2-methylbutan-2-yloxycarbonylamino)-1,3-thiazol-4-yl]-2-oxoacetate
CID 19978748
2-(tert-butylamino)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47277389
2,2-dimethyl-3-(1,3,4-thiadiazol-2-ylamino)propanoic acid
CID 115427794
(2S)-2-amino-3-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
CID 61174043
(2S)-2-amino-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 79025534
2-(diethylamino)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 47123067
4-[4-(2-methylbutan-2-yl)phenoxy]-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 2072136
2-(4-tert-butylphenyl)sulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 5219477
4-methyl-N-(1,3,4-thiadiazol-2-yl)pentanamide
CID 44791054
N'-butyl-N'-ethyl-N-(1,3,4-thiadiazol-2-yl)oxamide
CID 47336615
(2S)-3,3-dimethyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)butanoic acid
CID 61193385

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl N-(1,3,4-thiadiazol-2-yl)carbamate?
The IUPAC name of 2-methylbutan-2-yl N-(1,3,4-thiadiazol-2-yl)carbamate (CID 20501574) is 2-methylbutan-2-yl N-(1,3,4-thiadiazol-2-yl)carbamate.
What is the SMILES notation for 2-methylbutan-2-yl N-(1,3,4-thiadiazol-2-yl)carbamate?
The canonical SMILES for 2-methylbutan-2-yl N-(1,3,4-thiadiazol-2-yl)carbamate is CCC(C)(C)OC(=O)Nc1nncs1.
What is the InChIKey of 2-methylbutan-2-yl N-(1,3,4-thiadiazol-2-yl)carbamate?
The InChIKey is KRCGTZAUHKXENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-4-8(2,3)13-7(12)10-6-11-9-5-14-6/h5H,4H2,1-3H3,(H,10,11,12).
What are the key properties of 2-methylbutan-2-yl N-(1,3,4-thiadiazol-2-yl)carbamate?
2-methylbutan-2-yl N-(1,3,4-thiadiazol-2-yl)carbamate has a molecular weight of 215.28 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl N-(1,3,4-thiadiazol-2-yl)carbamate is sourced from PubChem (CID 20501574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).