N-[5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pentyl]propane-2-sulfonamide

C16H26N4O2S3 — CID 57398068

IUPACN-[5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pentyl]propane-2-sulfonamide
SMILESCc1nc(C)c(-c2csc(NCCCCCNS(=O)(=O)C(C)C)n2)s1
InChIInChI=1S/C16H26N4O2S3/c1-11(2)25(21,22)18-9-7-5-6-8-17-16-20-14(10-23-16)15-12(3)19-13(4)24-15/h10-11,18H,5-9H2,1-4H3,(H,17,20)
InChIKeyCSUGCPWZZFOQDN-UHFFFAOYSA-N
MW402.61 g/mol
LogP3.79
Rot. Bonds10

About N-[5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pentyl]propane-2-sulfonamide

N-[5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pentyl]propane-2-sulfonamide (PubChem CID 57398068) has the molecular formula C16H26N4O2S3 and a molecular weight of 402.61 g/mol. Its IUPAC name is N-[5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pentyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pentyl]propane-2-sulfonamide
PubChem CID57398068
Molecular FormulaC16H26N4O2S3
Molecular Weight402.61 g/mol
Exact Mass402.12
IUPAC NameN-[5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pentyl]propane-2-sulfonamide
SMILESCc1nc(C)c(-c2csc(NCCCCCNS(=O)(=O)C(C)C)n2)s1
InChIInChI=1S/C16H26N4O2S3/c1-11(2)25(21,22)18-9-7-5-6-8-17-16-20-14(10-23-16)15-12(3)19-13(4)24-15/h10-11,18H,5-9H2,1-4H3,(H,17,20)
InChIKeyCSUGCPWZZFOQDN-UHFFFAOYSA-N
XLogP3.79
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.61
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pentyl]propane-2-sulfonamide 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-[5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pentyl]propane-2-sulfonamide?
The IUPAC name of N-[5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pentyl]propane-2-sulfonamide (CID 57398068) is N-[5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pentyl]propane-2-sulfonamide.
What is the SMILES notation for N-[5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pentyl]propane-2-sulfonamide?
The canonical SMILES for N-[5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pentyl]propane-2-sulfonamide is Cc1nc(C)c(-c2csc(NCCCCCNS(=O)(=O)C(C)C)n2)s1.
What is the InChIKey of N-[5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pentyl]propane-2-sulfonamide?
The InChIKey is CSUGCPWZZFOQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2S3/c1-11(2)25(21,22)18-9-7-5-6-8-17-16-20-14(10-23-16)15-12(3)19-13(4)24-15/h10-11,18H,5-9H2,1-4H3,(H,17,20).
What are the key properties of N-[5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pentyl]propane-2-sulfonamide?
N-[5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pentyl]propane-2-sulfonamide has a molecular weight of 402.61 g/mol, XLogP of 3.79, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pentyl]propane-2-sulfonamide is sourced from PubChem (CID 57398068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).