N-methoxy-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide

C8H13N3O2S — CID 65204528

IUPACN-methoxy-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCON(C)C(=O)c1snnc1C(C)C
InChIInChI=1S/C8H13N3O2S/c1-5(2)6-7(14-10-9-6)8(12)11(3)13-4/h5H,1-4H3
InChIKeyKTFLJLOWMQPGML-UHFFFAOYSA-N
MW215.28 g/mol
LogP1.29
Rot. Bonds3

About N-methoxy-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide

N-methoxy-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide (PubChem CID 65204528) has the molecular formula C8H13N3O2S and a molecular weight of 215.28 g/mol. Its IUPAC name is N-methoxy-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide
PubChem CID65204528
Molecular FormulaC8H13N3O2S
Molecular Weight215.28 g/mol
Exact Mass215.07
IUPAC NameN-methoxy-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide
SMILESCON(C)C(=O)c1snnc1C(C)C
InChIInChI=1S/C8H13N3O2S/c1-5(2)6-7(14-10-9-6)8(12)11(3)13-4/h5H,1-4H3
InChIKeyKTFLJLOWMQPGML-UHFFFAOYSA-N
XLogP1.29
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N,N,4-triethyl-1,2,3-thiadiazole-5-carboxamide
CID 51073256
(4-Ethylthiadiazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 45863284
(4-ethylthiadiazol-5-yl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 51929052
(4-ethylthiadiazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 51929053
4-propan-2-yl-N-(2,2,2-trifluoroethoxy)thiadiazole-5-carboxamide
CID 82722344
4-ethyl-N-(3-methylbutan-2-yl)-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
CID 121583718
4-ethyl-N-[(2S)-3-methylbutan-2-yl]-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
CID 129375239
4-ethyl-N-[(2R)-3-methylbutan-2-yl]-N-(2,2,2-trifluoroethyl)thiadiazole-5-carboxamide
CID 129375240
4-Isopropyl-1,2,3-thiadiazole-5-carboxamide
CID 17984106
N,N'-dimethyl-4-propan-2-ylthiadiazole-5-carbohydrazide
CID 126483688
N',N'-dimethyl-4-propan-2-ylthiadiazole-5-carbohydrazide
CID 126483689
N-(cyclobutylmethyl)-4-ethylthiadiazole-5-carboxamide
CID 38653497

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide?
The IUPAC name of N-methoxy-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide (CID 65204528) is N-methoxy-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide.
What is the SMILES notation for N-methoxy-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide?
The canonical SMILES for N-methoxy-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide is CON(C)C(=O)c1snnc1C(C)C.
What is the InChIKey of N-methoxy-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide?
The InChIKey is KTFLJLOWMQPGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2S/c1-5(2)6-7(14-10-9-6)8(12)11(3)13-4/h5H,1-4H3.
What are the key properties of N-methoxy-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide?
N-methoxy-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide has a molecular weight of 215.28 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-4-propan-2-ylthiadiazole-5-carboxamide is sourced from PubChem (CID 65204528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).