3-(3-chlorophenyl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide

C16H10ClN5OS2 — CID 56503584

IUPAC3-(3-chlorophenyl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1nnc(-c2ccsc2)s1)c1cc(-c2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C16H10ClN5OS2/c17-11-3-1-2-9(6-11)12-7-13(20-19-12)14(23)18-16-22-21-15(25-16)10-4-5-24-8-10/h1-8H,(H,19,20)(H,18,22,23)
InChIKeyRHZRXSAISBBJEO-UHFFFAOYSA-N
MW387.88 g/mol
LogP4.56
Rot. Bonds4

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

3-(3-chlorophenyl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 56503584) has the molecular formula C16H10ClN5OS2 and a molecular weight of 387.88 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID56503584
Molecular FormulaC16H10ClN5OS2
Molecular Weight387.88 g/mol
Exact Mass387.00
IUPAC Name3-(3-chlorophenyl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1nnc(-c2ccsc2)s1)c1cc(-c2cccc(Cl)c2)n[nH]1
InChIInChI=1S/C16H10ClN5OS2/c17-11-3-1-2-9(6-11)12-7-13(20-19-12)14(23)18-16-22-21-15(25-16)10-4-5-24-8-10/h1-8H,(H,19,20)(H,18,22,23)
InChIKeyRHZRXSAISBBJEO-UHFFFAOYSA-N
XLogP4.56
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.88
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(3-chlorophenyl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide (CID 56503584) is 3-(3-chlorophenyl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide is O=C(Nc1nnc(-c2ccsc2)s1)c1cc(-c2cccc(Cl)c2)n[nH]1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is RHZRXSAISBBJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN5OS2/c17-11-3-1-2-9(6-11)12-7-13(20-19-12)14(23)18-16-22-21-15(25-16)10-4-5-24-8-10/h1-8H,(H,19,20)(H,18,22,23).
What are the key properties of 3-(3-chlorophenyl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide?
3-(3-chlorophenyl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 387.88 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(5-thiophen-3-yl-1,3,4-thiadiazol-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 56503584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).