N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide

C9H11N5OS — CID 29410577

IUPACN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide
SMILESCCc1nnc(NC(=O)c2cnn(C)c2)s1
InChIInChI=1S/C9H11N5OS/c1-3-7-12-13-9(16-7)11-8(15)6-4-10-14(2)5-6/h4-5H,3H2,1-2H3,(H,11,13,15)
InChIKeyIWSSDVZYJWDYJY-UHFFFAOYSA-N
MW237.29 g/mol
LogP1.09
Rot. Bonds3

About N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide (PubChem CID 29410577) has the molecular formula C9H11N5OS and a molecular weight of 237.29 g/mol. Its IUPAC name is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide
PubChem CID29410577
Molecular FormulaC9H11N5OS
Molecular Weight237.29 g/mol
Exact Mass237.07
IUPAC NameN-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide
SMILESCCc1nnc(NC(=O)c2cnn(C)c2)s1
InChIInChI=1S/C9H11N5OS/c1-3-7-12-13-9(16-7)11-8(15)6-4-10-14(2)5-6/h4-5H,3H2,1-2H3,(H,11,13,15)
InChIKeyIWSSDVZYJWDYJY-UHFFFAOYSA-N
XLogP1.09
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide (CID 29410577) is N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide is CCc1nnc(NC(=O)c2cnn(C)c2)s1.
What is the InChIKey of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide?
The InChIKey is IWSSDVZYJWDYJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5OS/c1-3-7-12-13-9(16-7)11-8(15)6-4-10-14(2)5-6/h4-5H,3H2,1-2H3,(H,11,13,15).
What are the key properties of N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide?
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide has a molecular weight of 237.29 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 29410577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).