N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide

C18H16Cl2N2O2S — CID 1244464

IUPACN-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)o1
InChIInChI=1S/C18H16Cl2N2O2S/c1-11-5-6-13(24-11)7-8-16(23)22-18-21-10-14(25-18)9-12-3-2-4-15(19)17(12)20/h2-6,10H,7-9H2,1H3,(H,21,22,23)
InChIKeyQLKITFYXOLTMTC-UHFFFAOYSA-N
MW395.31 g/mol
LogP5.51
Rot. Bonds6

About N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide

N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide (PubChem CID 1244464) has the molecular formula C18H16Cl2N2O2S and a molecular weight of 395.31 g/mol. Its IUPAC name is N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide
PubChem CID1244464
Molecular FormulaC18H16Cl2N2O2S
Molecular Weight395.31 g/mol
Exact Mass394.03
IUPAC NameN-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide
SMILESCc1ccc(CCC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)o1
InChIInChI=1S/C18H16Cl2N2O2S/c1-11-5-6-13(24-11)7-8-16(23)22-18-21-10-14(25-18)9-12-3-2-4-15(19)17(12)20/h2-6,10H,7-9H2,1H3,(H,21,22,23)
InChIKeyQLKITFYXOLTMTC-UHFFFAOYSA-N
XLogP5.51
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.31
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide?
The IUPAC name of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide (CID 1244464) is N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide.
What is the SMILES notation for N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide?
The canonical SMILES for N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide is Cc1ccc(CCC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)o1.
What is the InChIKey of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide?
The InChIKey is QLKITFYXOLTMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O2S/c1-11-5-6-13(24-11)7-8-16(23)22-18-21-10-14(25-18)9-12-3-2-4-15(19)17(12)20/h2-6,10H,7-9H2,1H3,(H,21,22,23).
What are the key properties of N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide?
N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide has a molecular weight of 395.31 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,3-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-3-(5-methylfuran-2-yl)propanamide is sourced from PubChem (CID 1244464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).