N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C19H13Cl2N5O2S — CID 78868375

IUPACN-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccn2)no1)Nc1nc(-c2cc(Cl)ccc2Cl)cs1
InChIInChI=1S/C19H13Cl2N5O2S/c20-11-4-5-13(21)12(9-11)15-10-29-19(23-15)24-16(27)6-7-17-25-18(26-28-17)14-3-1-2-8-22-14/h1-5,8-10H,6-7H2,(H,23,24,27)
InChIKeyPEJFJOVLJCKJNN-UHFFFAOYSA-N
MW446.32 g/mol
LogP5.13
Rot. Bonds6

About N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 78868375) has the molecular formula C19H13Cl2N5O2S and a molecular weight of 446.32 g/mol. Its IUPAC name is N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID78868375
Molecular FormulaC19H13Cl2N5O2S
Molecular Weight446.32 g/mol
Exact Mass445.02
IUPAC NameN-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccccn2)no1)Nc1nc(-c2cc(Cl)ccc2Cl)cs1
InChIInChI=1S/C19H13Cl2N5O2S/c20-11-4-5-13(21)12(9-11)15-10-29-19(23-15)24-16(27)6-7-17-25-18(26-28-17)14-3-1-2-8-22-14/h1-5,8-10H,6-7H2,(H,23,24,27)
InChIKeyPEJFJOVLJCKJNN-UHFFFAOYSA-N
XLogP5.13
TPSA93.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.32
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
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CID 78869742
3-[5-(2,4-dichlorophenyl)-1,3-oxazol-2-yl]-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)propanamide
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3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 60547444
N-methylsulfonyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 78868375) is N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2ccccn2)no1)Nc1nc(-c2cc(Cl)ccc2Cl)cs1.
What is the InChIKey of N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is PEJFJOVLJCKJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2N5O2S/c20-11-4-5-13(21)12(9-11)15-10-29-19(23-15)24-16(27)6-7-17-25-18(26-28-17)14-3-1-2-8-22-14/h1-5,8-10H,6-7H2,(H,23,24,27).
What are the key properties of N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 446.32 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 78868375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).