4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide

C11H16N6OS — CID 107641326

IUPAC4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCCc1nnc(NC(=O)c2n[nH]c(C(C)C)c2N)s1
InChIInChI=1S/C11H16N6OS/c1-4-6-14-17-11(19-6)13-10(18)9-7(12)8(5(2)3)15-16-9/h5H,4,12H2,1-3H3,(H,15,16)(H,13,17,18)
InChIKeyMFXCNCCUDHQWBG-UHFFFAOYSA-N
MW280.36 g/mol
LogP1.78
Rot. Bonds4

About 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide

4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 107641326) has the molecular formula C11H16N6OS and a molecular weight of 280.36 g/mol. Its IUPAC name is 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID107641326
Molecular FormulaC11H16N6OS
Molecular Weight280.36 g/mol
Exact Mass280.11
IUPAC Name4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCCc1nnc(NC(=O)c2n[nH]c(C(C)C)c2N)s1
InChIInChI=1S/C11H16N6OS/c1-4-6-14-17-11(19-6)13-10(18)9-7(12)8(5(2)3)15-16-9/h5H,4,12H2,1-3H3,(H,15,16)(H,13,17,18)
InChIKeyMFXCNCCUDHQWBG-UHFFFAOYSA-N
XLogP1.78
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide with MolForge

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Related Compounds

4-amino-5-ethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-pyrazole-3-carboxamide
CID 106259563
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 107641312
5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 107643158
4-amino-N-(2-ethylphenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 62077044
2-methylpropyl N-(5-ethyl-1,3,4-thiadiazol-2-yl)carbamate
CID 18877667
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2H-triazole-4-carboxamide
CID 47338144
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 107643170
5-tert-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1H-1,2,4-triazole-3-carboxamide
CID 107642777
5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide
CID 107641297
ethyl 3-[(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoate
CID 55033924
2-amino-3-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 110451183
2-amino-3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82546737

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 107641326) is 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is CCc1nnc(NC(=O)c2n[nH]c(C(C)C)c2N)s1.
What is the InChIKey of 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is MFXCNCCUDHQWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6OS/c1-4-6-14-17-11(19-6)13-10(18)9-7(12)8(5(2)3)15-16-9/h5H,4,12H2,1-3H3,(H,15,16)(H,13,17,18).
What are the key properties of 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 280.36 g/mol, XLogP of 1.78, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 107641326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).