2-amino-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazole-5-sulfonamide

C13H17N3O2S2 — CID 63945031

IUPAC2-amino-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NC(C)Cc1ccccc1
InChIInChI=1S/C13H17N3O2S2/c1-9(8-11-6-4-3-5-7-11)16-20(17,18)12-10(2)15-13(14)19-12/h3-7,9,16H,8H2,1-2H3,(H2,14,15)
InChIKeyPIJCORWQNAFGCY-UHFFFAOYSA-N
MW311.43 g/mol
LogP1.94
Rot. Bonds5

About 2-amino-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazole-5-sulfonamide

2-amino-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 63945031) has the molecular formula C13H17N3O2S2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazole-5-sulfonamide
PubChem CID63945031
Molecular FormulaC13H17N3O2S2
Molecular Weight311.43 g/mol
Exact Mass311.08
IUPAC Name2-amino-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazole-5-sulfonamide
SMILESCc1nc(N)sc1S(=O)(=O)NC(C)Cc1ccccc1
InChIInChI=1S/C13H17N3O2S2/c1-9(8-11-6-4-3-5-7-11)16-20(17,18)12-10(2)15-13(14)19-12/h3-7,9,16H,8H2,1-2H3,(H2,14,15)
InChIKeyPIJCORWQNAFGCY-UHFFFAOYSA-N
XLogP1.94
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-methyl-N-(1-pyrazol-1-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide
CID 63945800
2-amino-N-[1-(furan-2-yl)ethyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 63947212
2-amino-N-(1-phenylpropan-2-yl)benzenesulfonamide
CID 63012265
2-amino-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-sulfonamide
CID 63945197
2-amino-4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazole-5-sulfonamide
CID 106388982
2-amino-6-fluoro-N-(1-phenylpropan-2-yl)benzenesulfonamide
CID 63012952
2-amino-4-methyl-N-(4-methylpentyl)-1,3-thiazole-5-sulfonamide
CID 63944837
2-amino-N-[2-(difluoromethoxy)phenyl]-4-methyl-1,3-thiazole-5-sulfonamide
CID 63944418
1-(4-aminophenyl)-N-(1-phenylpropan-2-yl)methanesulfonamide
CID 63012782
2-amino-4-methyl-N-(3-methylphenyl)-1,3-thiazole-5-sulfonamide
CID 63945185
1-bromo-N-(1-phenylpropan-2-yl)methanesulfonamide
CID 83085970
5-(aminomethyl)-2-methyl-N-(1-phenylpropan-2-yl)furan-3-sulfonamide
CID 106062422

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazole-5-sulfonamide (CID 63945031) is 2-amino-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazole-5-sulfonamide is Cc1nc(N)sc1S(=O)(=O)NC(C)Cc1ccccc1.
What is the InChIKey of 2-amino-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazole-5-sulfonamide?
The InChIKey is PIJCORWQNAFGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S2/c1-9(8-11-6-4-3-5-7-11)16-20(17,18)12-10(2)15-13(14)19-12/h3-7,9,16H,8H2,1-2H3,(H2,14,15).
What are the key properties of 2-amino-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazole-5-sulfonamide?
2-amino-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 311.43 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(1-phenylpropan-2-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 63945031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).