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

C8H10N6OS — CID 107641312

IUPAC3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide
SMILESCCc1nnc(NC(=O)c2cc(N)n[nH]2)s1
InChIInChI=1S/C8H10N6OS/c1-2-6-13-14-8(16-6)10-7(15)4-3-5(9)12-11-4/h3H,2H2,1H3,(H3,9,11,12)(H,10,14,15)
InChIKeyXDXMPYVEGORMPW-UHFFFAOYSA-N
MW238.28 g/mol
LogP0.66
Rot. Bonds3

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

3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 107641312) has the molecular formula C8H10N6OS and a molecular weight of 238.28 g/mol. Its IUPAC name is 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID107641312
Molecular FormulaC8H10N6OS
Molecular Weight238.28 g/mol
Exact Mass238.06
IUPAC Name3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide
SMILESCCc1nnc(NC(=O)c2cc(N)n[nH]2)s1
InChIInChI=1S/C8H10N6OS/c1-2-6-13-14-8(16-6)10-7(15)4-3-5(9)12-11-4/h3H,2H2,1H3,(H3,9,11,12)(H,10,14,15)
InChIKeyXDXMPYVEGORMPW-UHFFFAOYSA-N
XLogP0.66
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 64524874
4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 107641326
3-amino-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 64524009
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2H-triazole-4-carboxamide
CID 47338144
5-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide
CID 107641297
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-phenylbenzamide
CID 745401
4-[(carbamoylamino)methyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 29410337
5-tert-butyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1H-1,2,4-triazole-3-carboxamide
CID 107642777
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
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 110462181
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-hydrazinylpyridazine-3-carboxamide
CID 107643252

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide (CID 107641312) is 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide is CCc1nnc(NC(=O)c2cc(N)n[nH]2)s1.
What is the InChIKey of 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is XDXMPYVEGORMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6OS/c1-2-6-13-14-8(16-6)10-7(15)4-3-5(9)12-11-4/h3H,2H2,1H3,(H3,9,11,12)(H,10,14,15).
What are the key properties of 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide?
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 238.28 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 107641312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).