3-methoxy-5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide

C12H15N3O2S2 — CID 166205739

IUPAC3-methoxy-5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCOc1cc(C)sc1C(=O)Nc1nnc(C(C)C)s1
InChIInChI=1S/C12H15N3O2S2/c1-6(2)11-14-15-12(19-11)13-10(16)9-8(17-4)5-7(3)18-9/h5-6H,1-4H3,(H,13,15,16)
InChIKeyDQLJYWDEMQOHSE-UHFFFAOYSA-N
MW297.41 g/mol
LogP3.29
Rot. Bonds4

About 3-methoxy-5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide

3-methoxy-5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (PubChem CID 166205739) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 3-methoxy-5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-methoxy-5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
PubChem CID166205739
Molecular FormulaC12H15N3O2S2
Molecular Weight297.41 g/mol
Exact Mass297.06
IUPAC Name3-methoxy-5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
SMILESCOc1cc(C)sc1C(=O)Nc1nnc(C(C)C)s1
InChIInChI=1S/C12H15N3O2S2/c1-6(2)11-14-15-12(19-11)13-10(16)9-8(17-4)5-7(3)18-9/h5-6H,1-4H3,(H,13,15,16)
InChIKeyDQLJYWDEMQOHSE-UHFFFAOYSA-N
XLogP3.29
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 9247167
3,5-dichloro-4-methoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 17013696
3-bromo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 47233955
4-methoxy-3-(methylsulfamoyl)-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 25493057
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-3,5-bis(trifluoromethyl)benzamide
CID 24506360
2-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 47443739
ethyl 3-oxo-3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)amino]propanoate
CID 666246
5-ethyl-4-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 18093759
N-(5-hexan-3-yl-1,3,4-thiadiazol-2-yl)-2,4,6-trimethoxybenzamide
CID 70528120
3-methoxy-5-methylthiophene-2-carbonyl chloride
CID 45081654
4-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 32623816
3-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]pyrazine-2-carboxylic acid
CID 53368602

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The IUPAC name of 3-methoxy-5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide (CID 166205739) is 3-methoxy-5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-methoxy-5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-methoxy-5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is COc1cc(C)sc1C(=O)Nc1nnc(C(C)C)s1.
What is the InChIKey of 3-methoxy-5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
The InChIKey is DQLJYWDEMQOHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-6(2)11-14-15-12(19-11)13-10(16)9-8(17-4)5-7(3)18-9/h5-6H,1-4H3,(H,13,15,16).
What are the key properties of 3-methoxy-5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide?
3-methoxy-5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide has a molecular weight of 297.41 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 166205739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).