4-ethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide

C11H15N5OS — CID 113231461

IUPAC4-ethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1cc(C(C)C)[nH]n1
InChIInChI=1S/C11H15N5OS/c1-4-7-10(18-16-14-7)11(17)12-9-5-8(6(2)3)13-15-9/h5-6H,4H2,1-3H3,(H2,12,13,15,17)
InChIKeyCDLHIHVHIHIBLT-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.20
Rot. Bonds4

About 4-ethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide

4-ethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide (PubChem CID 113231461) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 4-ethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide
PubChem CID113231461
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name4-ethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide
SMILESCCc1nnsc1C(=O)Nc1cc(C(C)C)[nH]n1
InChIInChI=1S/C11H15N5OS/c1-4-7-10(18-16-14-7)11(17)12-9-5-8(6(2)3)13-15-9/h5-6H,4H2,1-3H3,(H2,12,13,15,17)
InChIKeyCDLHIHVHIHIBLT-UHFFFAOYSA-N
XLogP2.20
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide?
The IUPAC name of 4-ethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide (CID 113231461) is 4-ethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-ethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-ethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide is CCc1nnsc1C(=O)Nc1cc(C(C)C)[nH]n1.
What is the InChIKey of 4-ethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide?
The InChIKey is CDLHIHVHIHIBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-4-7-10(18-16-14-7)11(17)12-9-5-8(6(2)3)13-15-9/h5-6H,4H2,1-3H3,(H2,12,13,15,17).
What are the key properties of 4-ethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide?
4-ethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)thiadiazole-5-carboxamide is sourced from PubChem (CID 113231461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).