5-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide

C10H16ClN3O3S — CID 80617670

IUPAC5-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCOCCN(C(=O)c1nnc(Cl)s1)C(C)COC
InChIInChI=1S/C10H16ClN3O3S/c1-7(6-17-3)14(4-5-16-2)9(15)8-12-13-10(11)18-8/h7H,4-6H2,1-3H3
InChIKeyLERDQCYRHQKDNX-UHFFFAOYSA-N
MW293.78 g/mol
LogP1.32
Rot. Bonds7

About 5-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80617670) has the molecular formula C10H16ClN3O3S and a molecular weight of 293.78 g/mol. Its IUPAC name is 5-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID80617670
Molecular FormulaC10H16ClN3O3S
Molecular Weight293.78 g/mol
Exact Mass293.06
IUPAC Name5-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
SMILESCOCCN(C(=O)c1nnc(Cl)s1)C(C)COC
InChIInChI=1S/C10H16ClN3O3S/c1-7(6-17-3)14(4-5-16-2)9(15)8-12-13-10(11)18-8/h7H,4-6H2,1-3H3
InChIKeyLERDQCYRHQKDNX-UHFFFAOYSA-N
XLogP1.32
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide (CID 80617670) is 5-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide is COCCN(C(=O)c1nnc(Cl)s1)C(C)COC.
What is the InChIKey of 5-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is LERDQCYRHQKDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O3S/c1-7(6-17-3)14(4-5-16-2)9(15)8-12-13-10(11)18-8/h7H,4-6H2,1-3H3.
What are the key properties of 5-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 293.78 g/mol, XLogP of 1.32, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80617670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).