1-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)-methylamino]propan-2-ol

C8H15N3O3S2 — CID 103381593

IUPAC1-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1snc(N)c1S(C)(=O)=O
InChIInChI=1S/C8H15N3O3S2/c1-5(12)4-11(2)8-6(16(3,13)14)7(9)10-15-8/h5,12H,4H2,1-3H3,(H2,9,10)
InChIKeyRTJOVWUXSDFLOL-UHFFFAOYSA-N
MW265.36 g/mol
LogP-0.05
Rot. Bonds4

About 1-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)-methylamino]propan-2-ol

1-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)-methylamino]propan-2-ol (PubChem CID 103381593) has the molecular formula C8H15N3O3S2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)-methylamino]propan-2-ol.

Molecular Properties

Compound Name1-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)-methylamino]propan-2-ol
PubChem CID103381593
Molecular FormulaC8H15N3O3S2
Molecular Weight265.36 g/mol
Exact Mass265.06
IUPAC Name1-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)-methylamino]propan-2-ol
SMILESCC(O)CN(C)c1snc(N)c1S(C)(=O)=O
InChIInChI=1S/C8H15N3O3S2/c1-5(12)4-11(2)8-6(16(3,13)14)7(9)10-15-8/h5,12H,4H2,1-3H3,(H2,9,10)
InChIKeyRTJOVWUXSDFLOL-UHFFFAOYSA-N
XLogP-0.05
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)-methylamino]propan-1-ol
CID 103384035
5-N,5-N-dimethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103381332
5-N-cyclopentyl-5-N-(3-methylbutyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103383435
5-N,5-N-bis(2-methoxyethyl)-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103380711
5-N-methyl-5-N-propan-2-yl-4-propylsulfonyl-1,2-thiazole-3,5-diamine
CID 103362189
5-N-(2-ethoxyethyl)-5-N-ethyl-4-methylsulfonyl-1,2-thiazole-3,5-diamine
CID 103381909
3-amino-N,N-dimethyl-5-[methyl(2,2,2-trifluoroethyl)amino]-1,2-thiazole-4-sulfonamide
CID 103360593
3-amino-N,N-dimethyl-5-[methyl(pentyl)amino]-1,2-thiazole-4-sulfonamide
CID 103362628
3-[[(3-amino-4-propylsulfonyl-1,2-thiazol-5-yl)-methylamino]methyl]cyclobutan-1-ol
CID 103363278
2-[(3-amino-4-ethylsulfonyl-1,2-thiazol-5-yl)-(2-hydroxyethyl)amino]ethanol
CID 103360672
5-N-[(4-bromophenyl)methyl]-4-ethylsulfonyl-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103361892
4-cyclopropylsulfonyl-5-N-ethyl-5-N-propan-2-yl-1,2-thiazole-3,5-diamine
CID 103349359

Frequently Asked Questions

What is the IUPAC name of 1-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)-methylamino]propan-2-ol?
The IUPAC name of 1-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)-methylamino]propan-2-ol (CID 103381593) is 1-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)-methylamino]propan-2-ol.
What is the SMILES notation for 1-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)-methylamino]propan-2-ol?
The canonical SMILES for 1-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)-methylamino]propan-2-ol is CC(O)CN(C)c1snc(N)c1S(C)(=O)=O.
What is the InChIKey of 1-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)-methylamino]propan-2-ol?
The InChIKey is RTJOVWUXSDFLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S2/c1-5(12)4-11(2)8-6(16(3,13)14)7(9)10-15-8/h5,12H,4H2,1-3H3,(H2,9,10).
What are the key properties of 1-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)-methylamino]propan-2-ol?
1-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)-methylamino]propan-2-ol has a molecular weight of 265.36 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-amino-4-methylsulfonyl-1,2-thiazol-5-yl)-methylamino]propan-2-ol is sourced from PubChem (CID 103381593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).