5-chloro-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazole-2-carboxamide

C12H12ClN3O2S — CID 80625354

IUPAC5-chloro-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1nnc(Cl)s1
InChIInChI=1S/C12H12ClN3O2S/c1-7(2)18-9-6-4-3-5-8(9)14-10(17)11-15-16-12(13)19-11/h3-7H,1-2H3,(H,14,17)
InChIKeyFRYZHWYCDNNKKT-UHFFFAOYSA-N
MW297.77 g/mol
LogP3.23
Rot. Bonds4

About 5-chloro-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80625354) has the molecular formula C12H12ClN3O2S and a molecular weight of 297.77 g/mol. Its IUPAC name is 5-chloro-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80625354
Molecular FormulaC12H12ClN3O2S
Molecular Weight297.77 g/mol
Exact Mass297.03
IUPAC Name5-chloro-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazole-2-carboxamide
SMILESCC(C)Oc1ccccc1NC(=O)c1nnc(Cl)s1
InChIInChI=1S/C12H12ClN3O2S/c1-7(2)18-9-6-4-3-5-8(9)14-10(17)11-15-16-12(13)19-11/h3-7H,1-2H3,(H,14,17)
InChIKeyFRYZHWYCDNNKKT-UHFFFAOYSA-N
XLogP3.23
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.77
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618478
3,5-dichloro-N-(2-propan-2-yloxyphenyl)benzamide
CID 17151016
2-chloro-N-(2-propan-2-yloxyphenyl)furan-3-carboxamide
CID 106685838
N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 110693809
5-chloro-N-(2-propan-2-yloxyphenyl)pyrazine-2-carboxamide
CID 103817156
5-methyl-N-(2-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 38999572
N,N'-bis(2-propan-2-yloxyphenyl)oxamide
CID 108987298
5-chloro-N-(2-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617853
6-N-propan-2-yl-2-N-(2-propan-2-yloxyphenyl)pyridine-2,6-dicarboxamide
CID 109093744
4-chloro-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 81227462
2-bromo-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 103752407
4,5-dibromo-N-(2-propan-2-yloxyphenyl)thiophene-2-carboxamide
CID 39498025

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazole-2-carboxamide (CID 80625354) is 5-chloro-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazole-2-carboxamide is CC(C)Oc1ccccc1NC(=O)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is FRYZHWYCDNNKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2S/c1-7(2)18-9-6-4-3-5-8(9)14-10(17)11-15-16-12(13)19-11/h3-7H,1-2H3,(H,14,17).
What are the key properties of 5-chloro-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 297.77 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80625354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).