[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide

C12H15N3O2S2 — CID 43745271

IUPAC[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide
SMILESCc1nc(CNc2ccc(CS(N)(=O)=O)cc2)cs1
InChIInChI=1S/C12H15N3O2S2/c1-9-15-12(7-18-9)6-14-11-4-2-10(3-5-11)8-19(13,16)17/h2-5,7,14H,6,8H2,1H3,(H2,13,16,17)
InChIKeySACIJZULWDKYTI-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.85
Rot. Bonds5

About [4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide

[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide (PubChem CID 43745271) has the molecular formula C12H15N3O2S2 and a molecular weight of 297.41 g/mol. Its IUPAC name is [4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound Name[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide
PubChem CID43745271
Molecular FormulaC12H15N3O2S2
Molecular Weight297.41 g/mol
Exact Mass297.06
IUPAC Name[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide
SMILESCc1nc(CNc2ccc(CS(N)(=O)=O)cc2)cs1
InChIInChI=1S/C12H15N3O2S2/c1-9-15-12(7-18-9)6-14-11-4-2-10(3-5-11)8-19(13,16)17/h2-5,7,14H,6,8H2,1H3,(H2,13,16,17)
InChIKeySACIJZULWDKYTI-UHFFFAOYSA-N
XLogP1.85
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
CID 43742551
4-butyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 30049651
4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzoic acid
CID 43139161
N-cyclopropyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
CID 61283817
[4-[(6-methoxy-2-pyridinyl)methylamino]phenyl]methanesulfonamide
CID 103347632
[4-[(5-bromothiophen-3-yl)methylamino]phenyl]methanesulfonamide
CID 43745273
N-[2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide
CID 43741273
[4-(ethylamino)phenyl]methanesulfonamide
CID 43745283
[4-[(4-bromophenyl)methylamino]phenyl]methanesulfonamide
CID 43745169
4-(2-methyl-1,3-oxazol-4-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 43704886
[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]phenyl]methanesulfonamide
CID 43745275
2-fluoro-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzoic acid
CID 115485203

Frequently Asked Questions

What is the IUPAC name of [4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide?
The IUPAC name of [4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide (CID 43745271) is [4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide.
What is the SMILES notation for [4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide?
The canonical SMILES for [4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide is Cc1nc(CNc2ccc(CS(N)(=O)=O)cc2)cs1.
What is the InChIKey of [4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide?
The InChIKey is SACIJZULWDKYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S2/c1-9-15-12(7-18-9)6-14-11-4-2-10(3-5-11)8-19(13,16)17/h2-5,7,14H,6,8H2,1H3,(H2,13,16,17).
What are the key properties of [4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide?
[4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide has a molecular weight of 297.41 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methyl-1,3-thiazol-4-yl)methylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 43745271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).