N-[5-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]pentanamide

C18H19ClN4OS2 — CID 11958619

IUPACN-[5-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]pentanamide
SMILESCCCCC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(Cl)cc3)n2)s1
InChIInChI=1S/C18H19ClN4OS2/c1-3-4-5-15(24)23-18-20-11(2)16(26-18)14-10-25-17(22-14)21-13-8-6-12(19)7-9-13/h6-10H,3-5H2,1-2H3,(H,21,22)(H,20,23,24)
InChIKeyGFODDHNUTNUCDX-UHFFFAOYSA-N
MW406.96 g/mol
LogP6.10
Rot. Bonds7

About N-[5-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]pentanamide

N-[5-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]pentanamide (PubChem CID 11958619) has the molecular formula C18H19ClN4OS2 and a molecular weight of 406.96 g/mol. Its IUPAC name is N-[5-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]pentanamide.

Molecular Properties

Compound NameN-[5-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]pentanamide
PubChem CID11958619
Molecular FormulaC18H19ClN4OS2
Molecular Weight406.96 g/mol
Exact Mass406.07
IUPAC NameN-[5-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]pentanamide
SMILESCCCCC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(Cl)cc3)n2)s1
InChIInChI=1S/C18H19ClN4OS2/c1-3-4-5-15(24)23-18-20-11(2)16(26-18)14-10-25-17(22-14)21-13-8-6-12(19)7-9-13/h6-10H,3-5H2,1-2H3,(H,21,22)(H,20,23,24)
InChIKeyGFODDHNUTNUCDX-UHFFFAOYSA-N
XLogP6.10
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.96
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]pentanamide?
The IUPAC name of N-[5-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]pentanamide (CID 11958619) is N-[5-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]pentanamide.
What is the SMILES notation for N-[5-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]pentanamide?
The canonical SMILES for N-[5-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]pentanamide is CCCCC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(Cl)cc3)n2)s1.
What is the InChIKey of N-[5-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]pentanamide?
The InChIKey is GFODDHNUTNUCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4OS2/c1-3-4-5-15(24)23-18-20-11(2)16(26-18)14-10-25-17(22-14)21-13-8-6-12(19)7-9-13/h6-10H,3-5H2,1-2H3,(H,21,22)(H,20,23,24).
What are the key properties of N-[5-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]pentanamide?
N-[5-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]pentanamide has a molecular weight of 406.96 g/mol, XLogP of 6.10, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(4-chloroanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]pentanamide is sourced from PubChem (CID 11958619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).