2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzenesulfonamide

C14H19N3O2S2 — CID 61284204

IUPAC2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzenesulfonamide
SMILESCc1nc(CNc2ccccc2S(=O)(=O)NC(C)C)cs1
InChIInChI=1S/C14H19N3O2S2/c1-10(2)17-21(18,19)14-7-5-4-6-13(14)15-8-12-9-20-11(3)16-12/h4-7,9-10,15,17H,8H2,1-3H3
InChIKeyOHKFAFOHZZZGTD-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.75
Rot. Bonds6

About 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzenesulfonamide

2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzenesulfonamide (PubChem CID 61284204) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzenesulfonamide
PubChem CID61284204
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzenesulfonamide
SMILESCc1nc(CNc2ccccc2S(=O)(=O)NC(C)C)cs1
InChIInChI=1S/C14H19N3O2S2/c1-10(2)17-21(18,19)14-7-5-4-6-13(14)15-8-12-9-20-11(3)16-12/h4-7,9-10,15,17H,8H2,1-3H3
InChIKeyOHKFAFOHZZZGTD-UHFFFAOYSA-N
XLogP2.75
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2-oxazol-3-ylmethylamino)-N-propan-2-ylbenzenesulfonamide
CID 81177250
2-ethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28781106
2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzene-1,2-diamine
CID 61281093
2-iodo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28878584
2-amino-N,N-dimethyl-3-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
CID 107115943
2-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780822
2-(methylamino)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 106049676
2-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]aniline
CID 28780978
2-[(4-methyl-1,2,4-triazol-3-yl)methylamino]-N-propan-2-ylbenzenesulfonamide
CID 61004106
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 47044572
2-(2-methoxyethylamino)-N-propan-2-ylbenzenesulfonamide
CID 43383470
N-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methylamino]benzenesulfonamide
CID 43742551

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzenesulfonamide?
The IUPAC name of 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzenesulfonamide (CID 61284204) is 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzenesulfonamide is Cc1nc(CNc2ccccc2S(=O)(=O)NC(C)C)cs1.
What is the InChIKey of 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzenesulfonamide?
The InChIKey is OHKFAFOHZZZGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-10(2)17-21(18,19)14-7-5-4-6-13(14)15-8-12-9-20-11(3)16-12/h4-7,9-10,15,17H,8H2,1-3H3.
What are the key properties of 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzenesulfonamide?
2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzenesulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,3-thiazol-4-yl)methylamino]-N-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 61284204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).