(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamic acid

C7H11N3O2S — CID 68796251

IUPAC(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamic acid
SMILESCC(C)(C)c1nnc(NC(=O)O)s1
InChIInChI=1S/C7H11N3O2S/c1-7(2,3)4-9-10-5(13-4)8-6(11)12/h1-3H3,(H,8,10)(H,11,12)
InChIKeyOLBKOBRKVQDKDF-UHFFFAOYSA-N
MW201.25 g/mol
LogP1.93
Rot. Bonds1

About (5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamic acid

(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamic acid (PubChem CID 68796251) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is (5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamic acid.

Molecular Properties

Compound Name(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamic acid
PubChem CID68796251
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamic acid
SMILESCC(C)(C)c1nnc(NC(=O)O)s1
InChIInChI=1S/C7H11N3O2S/c1-7(2,3)4-9-10-5(13-4)8-6(11)12/h1-3H3,(H,8,10)(H,11,12)
InChIKeyOLBKOBRKVQDKDF-UHFFFAOYSA-N
XLogP1.93
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 166405074
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3,5-dimethylbenzamide
CID 47148519
(2S)-2-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119279881
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-ethylbutanamide
CID 1080641
1-amino-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119705865
4-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)benzene-1,4-dicarboxamide
CID 55978390
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119705899
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)thiadiazole-5-carboxamide
CID 47316960
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-ethylthiophene-2-carboxamide
CID 47374727
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-hydroxy-4-methylbenzamide
CID 47316827
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-chloro-4-methylthiophene-2-carboxamide
CID 166222777
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 9458694

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamic acid?
The IUPAC name of (5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamic acid (CID 68796251) is (5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamic acid.
What is the SMILES notation for (5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamic acid?
The canonical SMILES for (5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamic acid is CC(C)(C)c1nnc(NC(=O)O)s1.
What is the InChIKey of (5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamic acid?
The InChIKey is OLBKOBRKVQDKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-7(2,3)4-9-10-5(13-4)8-6(11)12/h1-3H3,(H,8,10)(H,11,12).
What are the key properties of (5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamic acid?
(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamic acid has a molecular weight of 201.25 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamic acid is sourced from PubChem (CID 68796251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).