3-(4-chloropyrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide

C8H8ClN5OS — CID 4768485

IUPAC3-(4-chloropyrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESO=C(CCn1cc(Cl)cn1)Nc1nncs1
InChIInChI=1S/C8H8ClN5OS/c9-6-3-11-14(4-6)2-1-7(15)12-8-13-10-5-16-8/h3-5H,1-2H2,(H,12,13,15)
InChIKeyRGXVMFAWWPPIIF-UHFFFAOYSA-N
MW257.71 g/mol
LogP1.42
Rot. Bonds4

About 3-(4-chloropyrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide

3-(4-chloropyrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 4768485) has the molecular formula C8H8ClN5OS and a molecular weight of 257.71 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
PubChem CID4768485
Molecular FormulaC8H8ClN5OS
Molecular Weight257.71 g/mol
Exact Mass257.01
IUPAC Name3-(4-chloropyrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESO=C(CCn1cc(Cl)cn1)Nc1nncs1
InChIInChI=1S/C8H8ClN5OS/c9-6-3-11-14(4-6)2-1-7(15)12-8-13-10-5-16-8/h3-5H,1-2H2,(H,12,13,15)
InChIKeyRGXVMFAWWPPIIF-UHFFFAOYSA-N
XLogP1.42
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.71
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide (CID 4768485) is 3-(4-chloropyrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide is O=C(CCn1cc(Cl)cn1)Nc1nncs1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is RGXVMFAWWPPIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5OS/c9-6-3-11-14(4-6)2-1-7(15)12-8-13-10-5-16-8/h3-5H,1-2H2,(H,12,13,15).
What are the key properties of 3-(4-chloropyrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide?
3-(4-chloropyrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 257.71 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 4768485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).