N-[3-(1,3-thiazol-4-ylmethylamino)phenyl]methanesulfonamide

C11H13N3O2S2 — CID 61171584

IUPACN-[3-(1,3-thiazol-4-ylmethylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(NCc2cscn2)c1
InChIInChI=1S/C11H13N3O2S2/c1-18(15,16)14-10-4-2-3-9(5-10)12-6-11-7-17-8-13-11/h2-5,7-8,12,14H,6H2,1H3
InChIKeyQNMICFBSXOBOHD-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.13
Rot. Bonds5

About N-[3-(1,3-thiazol-4-ylmethylamino)phenyl]methanesulfonamide

N-[3-(1,3-thiazol-4-ylmethylamino)phenyl]methanesulfonamide (PubChem CID 61171584) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is N-[3-(1,3-thiazol-4-ylmethylamino)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(1,3-thiazol-4-ylmethylamino)phenyl]methanesulfonamide
PubChem CID61171584
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC NameN-[3-(1,3-thiazol-4-ylmethylamino)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(NCc2cscn2)c1
InChIInChI=1S/C11H13N3O2S2/c1-18(15,16)14-10-4-2-3-9(5-10)12-6-11-7-17-8-13-11/h2-5,7-8,12,14H,6H2,1H3
InChIKeyQNMICFBSXOBOHD-UHFFFAOYSA-N
XLogP2.13
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 59740767
methyl 3-(1,3-thiazol-4-ylmethylamino)benzoate
CID 60690780
(2S)-2-methoxy-N-[3-(1,3-thiazol-4-ylmethylamino)phenyl]propanamide
CID 129380466
3-(1,3-thiazol-4-ylmethylamino)benzonitrile
CID 60689652
N-[3-[(3-hydroxyphenyl)methylamino]phenyl]methanesulfonamide
CID 28731454
3-pyrrolidin-1-yl-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61169274
N-[3-[(5-methylthiophen-2-yl)methylamino]phenyl]methanesulfonamide
CID 28731496
3-(2-methoxyethoxymethyl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61171806
3-(4-ethylpiperazin-1-yl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 99834704
3,4-difluoro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 60687488
3-(4-methyl-1,2,4-triazol-3-yl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61171409
3-(1-ethylimidazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 71967970

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-thiazol-4-ylmethylamino)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(1,3-thiazol-4-ylmethylamino)phenyl]methanesulfonamide (CID 61171584) is N-[3-(1,3-thiazol-4-ylmethylamino)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(1,3-thiazol-4-ylmethylamino)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(1,3-thiazol-4-ylmethylamino)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(NCc2cscn2)c1.
What is the InChIKey of N-[3-(1,3-thiazol-4-ylmethylamino)phenyl]methanesulfonamide?
The InChIKey is QNMICFBSXOBOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c1-18(15,16)14-10-4-2-3-9(5-10)12-6-11-7-17-8-13-11/h2-5,7-8,12,14H,6H2,1H3.
What are the key properties of N-[3-(1,3-thiazol-4-ylmethylamino)phenyl]methanesulfonamide?
N-[3-(1,3-thiazol-4-ylmethylamino)phenyl]methanesulfonamide has a molecular weight of 283.38 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-thiazol-4-ylmethylamino)phenyl]methanesulfonamide is sourced from PubChem (CID 61171584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).