N-[4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]pentanamide

C18H23N3O3S3 — CID 70680649

IUPACN-[4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]pentanamide
SMILESCCCCC(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)cs1
InChIInChI=1S/C18H23N3O3S3/c1-2-3-4-17(22)20-18-19-16(13-26-18)14-5-7-15(8-6-14)27(23,24)21-9-11-25-12-10-21/h5-8,13H,2-4,9-12H2,1H3,(H,19,20,22)
InChIKeyNXORADBDPURJNI-UHFFFAOYSA-N
MW425.60 g/mol
LogP3.68
Rot. Bonds7

About N-[4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]pentanamide

N-[4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]pentanamide (PubChem CID 70680649) has the molecular formula C18H23N3O3S3 and a molecular weight of 425.60 g/mol. Its IUPAC name is N-[4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]pentanamide.

Molecular Properties

Compound NameN-[4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]pentanamide
PubChem CID70680649
Molecular FormulaC18H23N3O3S3
Molecular Weight425.60 g/mol
Exact Mass425.09
IUPAC NameN-[4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]pentanamide
SMILESCCCCC(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)cs1
InChIInChI=1S/C18H23N3O3S3/c1-2-3-4-17(22)20-18-19-16(13-26-18)14-5-7-15(8-6-14)27(23,24)21-9-11-25-12-10-21/h5-8,13H,2-4,9-12H2,1H3,(H,19,20,22)
InChIKeyNXORADBDPURJNI-UHFFFAOYSA-N
XLogP3.68
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.60
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]pentanamide?
The IUPAC name of N-[4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]pentanamide (CID 70680649) is N-[4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]pentanamide.
What is the SMILES notation for N-[4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]pentanamide?
The canonical SMILES for N-[4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]pentanamide is CCCCC(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCSCC3)cc2)cs1.
What is the InChIKey of N-[4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]pentanamide?
The InChIKey is NXORADBDPURJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S3/c1-2-3-4-17(22)20-18-19-16(13-26-18)14-5-7-15(8-6-14)27(23,24)21-9-11-25-12-10-21/h5-8,13H,2-4,9-12H2,1H3,(H,19,20,22).
What are the key properties of N-[4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]pentanamide?
N-[4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]pentanamide has a molecular weight of 425.60 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-thiomorpholin-4-ylsulfonylphenyl)-1,3-thiazol-2-yl]pentanamide is sourced from PubChem (CID 70680649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).