2-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]oxolane-3-carboxamide

C12H15N5O2S — CID 138020657

IUPAC2-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]oxolane-3-carboxamide
SMILESCC1OCCC1C(=O)Nc1nc(-c2cnn(C)c2)ns1
InChIInChI=1S/C12H15N5O2S/c1-7-9(3-4-19-7)11(18)15-12-14-10(16-20-12)8-5-13-17(2)6-8/h5-7,9H,3-4H2,1-2H3,(H,14,15,16,18)
InChIKeyRJFXEESCTJOHJX-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.30
Rot. Bonds3

About 2-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]oxolane-3-carboxamide

2-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]oxolane-3-carboxamide (PubChem CID 138020657) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]oxolane-3-carboxamide
PubChem CID138020657
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name2-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]oxolane-3-carboxamide
SMILESCC1OCCC1C(=O)Nc1nc(-c2cnn(C)c2)ns1
InChIInChI=1S/C12H15N5O2S/c1-7-9(3-4-19-7)11(18)15-12-14-10(16-20-12)8-5-13-17(2)6-8/h5-7,9H,3-4H2,1-2H3,(H,14,15,16,18)
InChIKeyRJFXEESCTJOHJX-UHFFFAOYSA-N
XLogP1.30
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(difluoromethyl)-3-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]-1,2-oxazole-4-carboxamide
CID 154785691
N-ethyl-3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-amine
CID 65269150
N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]ethanesulfonamide
CID 167962685
N-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-methyloxolane-3-carboxamide
CID 136536388
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-methyloxolane-3-carboxamide
CID 79758731
2-methyl-N-phenyloxolane-3-carboxamide
CID 79758849
(2R)-N-(1-methylpyrazol-4-yl)oxetane-2-carboxamide
CID 175500710
N-(5-bromo-2-chloro-3-pyridinyl)-2-methyloxolane-3-carboxamide
CID 102979215
(2R,3R)-N-(1,4-dimethyl-6-oxo-3-pyridinyl)-2-methyloxane-3-carboxamide
CID 129399642
[(2R,3R)-2-methyloxan-3-yl]-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone
CID 129399632
2-methyl-N-(1H-pyrazol-5-yl)oxolane-3-carboxamide
CID 79759186
N-(4-carbamothioylphenyl)-2-methyloxolane-3-carboxamide
CID 79760045

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]oxolane-3-carboxamide?
The IUPAC name of 2-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]oxolane-3-carboxamide (CID 138020657) is 2-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]oxolane-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]oxolane-3-carboxamide?
The canonical SMILES for 2-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]oxolane-3-carboxamide is CC1OCCC1C(=O)Nc1nc(-c2cnn(C)c2)ns1.
What is the InChIKey of 2-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]oxolane-3-carboxamide?
The InChIKey is RJFXEESCTJOHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-7-9(3-4-19-7)11(18)15-12-14-10(16-20-12)8-5-13-17(2)6-8/h5-7,9H,3-4H2,1-2H3,(H,14,15,16,18).
What are the key properties of 2-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]oxolane-3-carboxamide?
2-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]oxolane-3-carboxamide has a molecular weight of 293.35 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(1-methylpyrazol-4-yl)-1,2,4-thiadiazol-5-yl]oxolane-3-carboxamide is sourced from PubChem (CID 138020657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).