N-[5-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]pentyl]methanesulfonamide

C13H19N3O2S3 — CID 57398082

IUPACN-[5-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]pentyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCCCNc1nc(-c2ccsc2)cs1
InChIInChI=1S/C13H19N3O2S3/c1-21(17,18)15-7-4-2-3-6-14-13-16-12(10-20-13)11-5-8-19-9-11/h5,8-10,15H,2-4,6-7H2,1H3,(H,14,16)
InChIKeyBCZBIVBTWXYRMD-UHFFFAOYSA-N
MW345.52 g/mol
LogP3.00
Rot. Bonds9

About N-[5-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]pentyl]methanesulfonamide

N-[5-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]pentyl]methanesulfonamide (PubChem CID 57398082) has the molecular formula C13H19N3O2S3 and a molecular weight of 345.52 g/mol. Its IUPAC name is N-[5-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]pentyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]pentyl]methanesulfonamide
PubChem CID57398082
Molecular FormulaC13H19N3O2S3
Molecular Weight345.52 g/mol
Exact Mass345.06
IUPAC NameN-[5-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]pentyl]methanesulfonamide
SMILESCS(=O)(=O)NCCCCCNc1nc(-c2ccsc2)cs1
InChIInChI=1S/C13H19N3O2S3/c1-21(17,18)15-7-4-2-3-6-14-13-16-12(10-20-13)11-5-8-19-9-11/h5,8-10,15H,2-4,6-7H2,1H3,(H,14,16)
InChIKeyBCZBIVBTWXYRMD-UHFFFAOYSA-N
XLogP3.00
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.52
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-Methylsulfanyl-4-[2-(3-phenyl-propylamino)-thiazol-4-yl]-thiophene-2-carboxamidine
CID 9800468
4-[2-(4-Methyl-benzylamino)-thiazol-4-yl]-5-methylsulfanyl-thiophene-2-carboxamidine
CID 18537305
N-methyl-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine
CID 8963138
N-(1,1-dioxothiolan-3-yl)-N-methyl-4-phenyl-1,3-thiazol-2-amine
CID 2975913
N-{4-[4-(4-Fluoro-phenyl)-thiazol-2-ylamino]-cyclohexylmethyl}-methanesulfonamide
CID 44460842
N-[5-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]pentyl]methanesulfonamide
CID 57392815
N-[5-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]pentyl]propane-2-sulfonamide
CID 57396265
N-pentyl-4-phenyl-1,3-thiazol-2-amine
CID 2560470
4-(2,5-Dimethylthien-3-yl)-1,3-thiazol-2-amine
CID 2758663
Fanetizole Mesylate
CID 3033673
4-[2-(4-methylsulfonylphenyl)-1,3-thiazol-4-yl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 149118688
4-(5-phenylthiophen-3-yl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CID 145104912

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]pentyl]methanesulfonamide?
The IUPAC name of N-[5-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]pentyl]methanesulfonamide (CID 57398082) is N-[5-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]pentyl]methanesulfonamide.
What is the SMILES notation for N-[5-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]pentyl]methanesulfonamide?
The canonical SMILES for N-[5-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]pentyl]methanesulfonamide is CS(=O)(=O)NCCCCCNc1nc(-c2ccsc2)cs1.
What is the InChIKey of N-[5-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]pentyl]methanesulfonamide?
The InChIKey is BCZBIVBTWXYRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S3/c1-21(17,18)15-7-4-2-3-6-14-13-16-12(10-20-13)11-5-8-19-9-11/h5,8-10,15H,2-4,6-7H2,1H3,(H,14,16).
What are the key properties of N-[5-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]pentyl]methanesulfonamide?
N-[5-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]pentyl]methanesulfonamide has a molecular weight of 345.52 g/mol, XLogP of 3.00, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-thiophen-3-yl-1,3-thiazol-2-yl)amino]pentyl]methanesulfonamide is sourced from PubChem (CID 57398082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).