4-chloro-2-pyridin-3-yl-N-[1-(2,4,6-trichlorophenoxy)propan-2-yl]-1,3-thiazole-5-carboxamide

C18H13Cl4N3O2S — CID 90086309

IUPAC4-chloro-2-pyridin-3-yl-N-[1-(2,4,6-trichlorophenoxy)propan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCC(COc1c(Cl)cc(Cl)cc1Cl)NC(=O)c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C18H13Cl4N3O2S/c1-9(8-27-14-12(20)5-11(19)6-13(14)21)24-17(26)15-16(22)25-18(28-15)10-3-2-4-23-7-10/h2-7,9H,8H2,1H3,(H,24,26)
InChIKeyIFAVIXMILHPIJV-UHFFFAOYSA-N
MW477.20 g/mol
LogP6.02
Rot. Bonds6

About 4-chloro-2-pyridin-3-yl-N-[1-(2,4,6-trichlorophenoxy)propan-2-yl]-1,3-thiazole-5-carboxamide

4-chloro-2-pyridin-3-yl-N-[1-(2,4,6-trichlorophenoxy)propan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 90086309) has the molecular formula C18H13Cl4N3O2S and a molecular weight of 477.20 g/mol. Its IUPAC name is 4-chloro-2-pyridin-3-yl-N-[1-(2,4,6-trichlorophenoxy)propan-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-2-pyridin-3-yl-N-[1-(2,4,6-trichlorophenoxy)propan-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID90086309
Molecular FormulaC18H13Cl4N3O2S
Molecular Weight477.20 g/mol
Exact Mass474.95
IUPAC Name4-chloro-2-pyridin-3-yl-N-[1-(2,4,6-trichlorophenoxy)propan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCC(COc1c(Cl)cc(Cl)cc1Cl)NC(=O)c1sc(-c2cccnc2)nc1Cl
InChIInChI=1S/C18H13Cl4N3O2S/c1-9(8-27-14-12(20)5-11(19)6-13(14)21)24-17(26)15-16(22)25-18(28-15)10-3-2-4-23-7-10/h2-7,9H,8H2,1H3,(H,24,26)
InChIKeyIFAVIXMILHPIJV-UHFFFAOYSA-N
XLogP6.02
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.20
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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4-chloro-2-pyridin-3-yl-1,3-thiazole-5-carbonyl chloride
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4-methyl-2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
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N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-pyridin-3-yl-N-[1-(2,4,6-trichlorophenoxy)propan-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-chloro-2-pyridin-3-yl-N-[1-(2,4,6-trichlorophenoxy)propan-2-yl]-1,3-thiazole-5-carboxamide (CID 90086309) is 4-chloro-2-pyridin-3-yl-N-[1-(2,4,6-trichlorophenoxy)propan-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-chloro-2-pyridin-3-yl-N-[1-(2,4,6-trichlorophenoxy)propan-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-chloro-2-pyridin-3-yl-N-[1-(2,4,6-trichlorophenoxy)propan-2-yl]-1,3-thiazole-5-carboxamide is CC(COc1c(Cl)cc(Cl)cc1Cl)NC(=O)c1sc(-c2cccnc2)nc1Cl.
What is the InChIKey of 4-chloro-2-pyridin-3-yl-N-[1-(2,4,6-trichlorophenoxy)propan-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is IFAVIXMILHPIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl4N3O2S/c1-9(8-27-14-12(20)5-11(19)6-13(14)21)24-17(26)15-16(22)25-18(28-15)10-3-2-4-23-7-10/h2-7,9H,8H2,1H3,(H,24,26).
What are the key properties of 4-chloro-2-pyridin-3-yl-N-[1-(2,4,6-trichlorophenoxy)propan-2-yl]-1,3-thiazole-5-carboxamide?
4-chloro-2-pyridin-3-yl-N-[1-(2,4,6-trichlorophenoxy)propan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 477.20 g/mol, XLogP of 6.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-pyridin-3-yl-N-[1-(2,4,6-trichlorophenoxy)propan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 90086309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).