1-ethyl-N-[5-[(1S)-1-methoxyethyl]-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide

C11H15N5O2S — CID 164642137

IUPAC1-ethyl-N-[5-[(1S)-1-methoxyethyl]-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2nnc([C@H](C)OC)s2)cn1
InChIInChI=1S/C11H15N5O2S/c1-4-16-6-8(5-12-16)9(17)13-11-15-14-10(19-11)7(2)18-3/h5-7H,4H2,1-3H3,(H,13,15,17)/t7-/m0/s1
InChIKeyVLQCCLZEYVFYQR-ZETCQYMHSA-N
MW281.34 g/mol
LogP1.71
Rot. Bonds5

About 1-ethyl-N-[5-[(1S)-1-methoxyethyl]-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide

1-ethyl-N-[5-[(1S)-1-methoxyethyl]-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide (PubChem CID 164642137) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 1-ethyl-N-[5-[(1S)-1-methoxyethyl]-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[5-[(1S)-1-methoxyethyl]-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide
PubChem CID164642137
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name1-ethyl-N-[5-[(1S)-1-methoxyethyl]-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide
SMILESCCn1cc(C(=O)Nc2nnc([C@H](C)OC)s2)cn1
InChIInChI=1S/C11H15N5O2S/c1-4-16-6-8(5-12-16)9(17)13-11-15-14-10(19-11)7(2)18-3/h5-7H,4H2,1-3H3,(H,13,15,17)/t7-/m0/s1
InChIKeyVLQCCLZEYVFYQR-ZETCQYMHSA-N
XLogP1.71
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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1-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide
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N-(5-butyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide
CID 31039314
1-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[5-[(1S)-1-methoxyethyl]-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[5-[(1S)-1-methoxyethyl]-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide (CID 164642137) is 1-ethyl-N-[5-[(1S)-1-methoxyethyl]-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[5-[(1S)-1-methoxyethyl]-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[5-[(1S)-1-methoxyethyl]-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide is CCn1cc(C(=O)Nc2nnc([C@H](C)OC)s2)cn1.
What is the InChIKey of 1-ethyl-N-[5-[(1S)-1-methoxyethyl]-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide?
The InChIKey is VLQCCLZEYVFYQR-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-4-16-6-8(5-12-16)9(17)13-11-15-14-10(19-11)7(2)18-3/h5-7H,4H2,1-3H3,(H,13,15,17)/t7-/m0/s1.
What are the key properties of 1-ethyl-N-[5-[(1S)-1-methoxyethyl]-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide?
1-ethyl-N-[5-[(1S)-1-methoxyethyl]-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide has a molecular weight of 281.34 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[5-[(1S)-1-methoxyethyl]-1,3,4-thiadiazol-2-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 164642137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).