5-chloro-N-(3-chloro-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide

C8H4Cl2N4OS — CID 103094101

IUPAC5-chloro-N-(3-chloro-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ncccc1Cl)c1nnc(Cl)s1
InChIInChI=1S/C8H4Cl2N4OS/c9-4-2-1-3-11-5(4)12-6(15)7-13-14-8(10)16-7/h1-3H,(H,11,12,15)
InChIKeyJYLKCDHPHMTDIC-UHFFFAOYSA-N
MW275.12 g/mol
LogP2.49
Rot. Bonds2

About 5-chloro-N-(3-chloro-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-(3-chloro-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide (PubChem CID 103094101) has the molecular formula C8H4Cl2N4OS and a molecular weight of 275.12 g/mol. Its IUPAC name is 5-chloro-N-(3-chloro-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-chloro-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
PubChem CID103094101
Molecular FormulaC8H4Cl2N4OS
Molecular Weight275.12 g/mol
Exact Mass273.95
IUPAC Name5-chloro-N-(3-chloro-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
SMILESO=C(Nc1ncccc1Cl)c1nnc(Cl)s1
InChIInChI=1S/C8H4Cl2N4OS/c9-4-2-1-3-11-5(4)12-6(15)7-13-14-8(10)16-7/h1-3H,(H,11,12,15)
InChIKeyJYLKCDHPHMTDIC-UHFFFAOYSA-N
XLogP2.49
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(2-methyl-3-pyridinyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617853
2-chloro-N-(3-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 103892911
5-chloro-N-(1H-imidazol-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80619445
3-amino-N-(3-chloro-2-pyridinyl)pyridine-2-carboxamide
CID 103094260
N-(4-bromophenyl)-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80625889
5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617639
5-chloro-N-(4-phenylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617817
3-amino-N-(3-chloro-2-pyridinyl)thiophene-2-carboxamide
CID 103093844
N-(3-chloro-2-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 103892877
2-amino-N-(3-chloro-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 103094302
methyl N-(3-chloro-2-pyridinyl)carbamate
CID 103094493
N-(3-chloro-2-pyridinyl)pyrrolidine-1-carboxamide
CID 103886210

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-chloro-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-(3-chloro-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide (CID 103094101) is 5-chloro-N-(3-chloro-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-chloro-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3-chloro-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide is O=C(Nc1ncccc1Cl)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-(3-chloro-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is JYLKCDHPHMTDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N4OS/c9-4-2-1-3-11-5(4)12-6(15)7-13-14-8(10)16-7/h1-3H,(H,11,12,15).
What are the key properties of 5-chloro-N-(3-chloro-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-(3-chloro-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 275.12 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-chloro-2-pyridinyl)-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 103094101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).