(1-ethylpyrazol-4-yl)-(thiadiazol-5-yl)methanone

C8H8N4OS — CID 105083248

IUPAC(1-ethylpyrazol-4-yl)-(thiadiazol-5-yl)methanone
SMILESCCn1cc(C(=O)c2cnns2)cn1
InChIInChI=1S/C8H8N4OS/c1-2-12-5-6(3-10-12)8(13)7-4-9-11-14-7/h3-5H,2H2,1H3
InChIKeyIYDJFNQOOMXXMC-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.99
Rot. Bonds3

About (1-ethylpyrazol-4-yl)-(thiadiazol-5-yl)methanone

(1-ethylpyrazol-4-yl)-(thiadiazol-5-yl)methanone (PubChem CID 105083248) has the molecular formula C8H8N4OS and a molecular weight of 208.25 g/mol. Its IUPAC name is (1-ethylpyrazol-4-yl)-(thiadiazol-5-yl)methanone.

Molecular Properties

Compound Name(1-ethylpyrazol-4-yl)-(thiadiazol-5-yl)methanone
PubChem CID105083248
Molecular FormulaC8H8N4OS
Molecular Weight208.25 g/mol
Exact Mass208.04
IUPAC Name(1-ethylpyrazol-4-yl)-(thiadiazol-5-yl)methanone
SMILESCCn1cc(C(=O)c2cnns2)cn1
InChIInChI=1S/C8H8N4OS/c1-2-12-5-6(3-10-12)8(13)7-4-9-11-14-7/h3-5H,2H2,1H3
InChIKeyIYDJFNQOOMXXMC-UHFFFAOYSA-N
XLogP0.99
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(1-propylpyrazol-4-yl)-(thiadiazol-5-yl)methanone
CID 105082119
1-(1-ethylpyrazol-4-yl)ethanone
CID 4912928
(5-bromothiophen-3-yl)-(1-ethylpyrazol-4-yl)methanone
CID 105083231
(1-ethylpyrazol-4-yl)-(3-fluorothiophen-2-yl)methanone
CID 130594522
[4-(aminomethyl)phenyl]-(1-ethylpyrazol-4-yl)methanone
CID 116548142
2-amino-1-(1-ethylpyrazol-4-yl)-2-methylbutan-1-one
CID 116590216
(E)-4-(1-ethylpyrazol-4-yl)pent-3-en-2-one
CID 103970881
1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutan-1-one
CID 63891496
(1-ethylpyrazol-4-yl)-(2,3,4-trifluorophenyl)methanone
CID 114964425
(5-amino-1H-pyrazol-4-yl)-(1-ethylpyrazol-4-yl)methanone
CID 65360867
(5-bromofuran-2-yl)-(1-ethylpyrazol-4-yl)methanone
CID 114964392
N-(2-amino-2-methylpropyl)-1-ethylpyrazole-4-carboxamide
CID 119627511

Frequently Asked Questions

What is the IUPAC name of (1-ethylpyrazol-4-yl)-(thiadiazol-5-yl)methanone?
The IUPAC name of (1-ethylpyrazol-4-yl)-(thiadiazol-5-yl)methanone (CID 105083248) is (1-ethylpyrazol-4-yl)-(thiadiazol-5-yl)methanone.
What is the SMILES notation for (1-ethylpyrazol-4-yl)-(thiadiazol-5-yl)methanone?
The canonical SMILES for (1-ethylpyrazol-4-yl)-(thiadiazol-5-yl)methanone is CCn1cc(C(=O)c2cnns2)cn1.
What is the InChIKey of (1-ethylpyrazol-4-yl)-(thiadiazol-5-yl)methanone?
The InChIKey is IYDJFNQOOMXXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4OS/c1-2-12-5-6(3-10-12)8(13)7-4-9-11-14-7/h3-5H,2H2,1H3.
What are the key properties of (1-ethylpyrazol-4-yl)-(thiadiazol-5-yl)methanone?
(1-ethylpyrazol-4-yl)-(thiadiazol-5-yl)methanone has a molecular weight of 208.25 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpyrazol-4-yl)-(thiadiazol-5-yl)methanone is sourced from PubChem (CID 105083248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).