4-chloro-N-[4-(4-chlorophenyl)thiadiazol-5-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

C17H9Cl2N5OS2 — CID 71114674

IUPAC4-chloro-N-[4-(4-chlorophenyl)thiadiazol-5-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1snnc1-c1ccc(Cl)cc1)c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C17H9Cl2N5OS2/c18-11-5-3-9(4-6-11)12-17(27-24-23-12)22-15(25)13-14(19)21-16(26-13)10-2-1-7-20-8-10/h1-8H,(H,22,25)
InChIKeyDDRMUSNHWFLSNE-UHFFFAOYSA-N
MW434.33 g/mol
LogP5.28
Rot. Bonds4

About 4-chloro-N-[4-(4-chlorophenyl)thiadiazol-5-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide

4-chloro-N-[4-(4-chlorophenyl)thiadiazol-5-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (PubChem CID 71114674) has the molecular formula C17H9Cl2N5OS2 and a molecular weight of 434.33 g/mol. Its IUPAC name is 4-chloro-N-[4-(4-chlorophenyl)thiadiazol-5-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[4-(4-chlorophenyl)thiadiazol-5-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
PubChem CID71114674
Molecular FormulaC17H9Cl2N5OS2
Molecular Weight434.33 g/mol
Exact Mass432.96
IUPAC Name4-chloro-N-[4-(4-chlorophenyl)thiadiazol-5-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1snnc1-c1ccc(Cl)cc1)c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C17H9Cl2N5OS2/c18-11-5-3-9(4-6-11)12-17(27-24-23-12)22-15(25)13-14(19)21-16(26-13)10-2-1-7-20-8-10/h1-8H,(H,22,25)
InChIKeyDDRMUSNHWFLSNE-UHFFFAOYSA-N
XLogP5.28
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.33
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(4-chlorophenyl)thiadiazol-5-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[4-(4-chlorophenyl)thiadiazol-5-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide (CID 71114674) is 4-chloro-N-[4-(4-chlorophenyl)thiadiazol-5-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[4-(4-chlorophenyl)thiadiazol-5-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[4-(4-chlorophenyl)thiadiazol-5-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is O=C(Nc1snnc1-c1ccc(Cl)cc1)c1sc(-c2cccnc2)nc1Cl.
What is the InChIKey of 4-chloro-N-[4-(4-chlorophenyl)thiadiazol-5-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
The InChIKey is DDRMUSNHWFLSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2N5OS2/c18-11-5-3-9(4-6-11)12-17(27-24-23-12)22-15(25)13-14(19)21-16(26-13)10-2-1-7-20-8-10/h1-8H,(H,22,25).
What are the key properties of 4-chloro-N-[4-(4-chlorophenyl)thiadiazol-5-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide?
4-chloro-N-[4-(4-chlorophenyl)thiadiazol-5-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide has a molecular weight of 434.33 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-(4-chlorophenyl)thiadiazol-5-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71114674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).