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

C15H21N3O2S2 — CID 75385456

IUPACN-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]phenyl]methyl]methanesulfonamide
SMILESCC(C)c1nc(CNc2ccc(CNS(C)(=O)=O)cc2)cs1
InChIInChI=1S/C15H21N3O2S2/c1-11(2)15-18-14(10-21-15)9-16-13-6-4-12(5-7-13)8-17-22(3,19)20/h4-7,10-11,16-17H,8-9H2,1-3H3
InChIKeyXCEMQTNFPHMTEW-UHFFFAOYSA-N
MW339.49 g/mol
LogP2.93
Rot. Bonds7

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

N-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]phenyl]methyl]methanesulfonamide (PubChem CID 75385456) has the molecular formula C15H21N3O2S2 and a molecular weight of 339.49 g/mol. Its IUPAC name is N-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]phenyl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]phenyl]methyl]methanesulfonamide
PubChem CID75385456
Molecular FormulaC15H21N3O2S2
Molecular Weight339.49 g/mol
Exact Mass339.11
IUPAC NameN-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]phenyl]methyl]methanesulfonamide
SMILESCC(C)c1nc(CNc2ccc(CNS(C)(=O)=O)cc2)cs1
InChIInChI=1S/C15H21N3O2S2/c1-11(2)15-18-14(10-21-15)9-16-13-6-4-12(5-7-13)8-17-22(3,19)20/h4-7,10-11,16-17H,8-9H2,1-3H3
InChIKeyXCEMQTNFPHMTEW-UHFFFAOYSA-N
XLogP2.93
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.49
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]phenyl]methyl]methanesulfonamide?
The IUPAC name of N-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]phenyl]methyl]methanesulfonamide (CID 75385456) is N-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]phenyl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]phenyl]methyl]methanesulfonamide?
The canonical SMILES for N-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]phenyl]methyl]methanesulfonamide is CC(C)c1nc(CNc2ccc(CNS(C)(=O)=O)cc2)cs1.
What is the InChIKey of N-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]phenyl]methyl]methanesulfonamide?
The InChIKey is XCEMQTNFPHMTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S2/c1-11(2)15-18-14(10-21-15)9-16-13-6-4-12(5-7-13)8-17-22(3,19)20/h4-7,10-11,16-17H,8-9H2,1-3H3.
What are the key properties of N-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]phenyl]methyl]methanesulfonamide?
N-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]phenyl]methyl]methanesulfonamide has a molecular weight of 339.49 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]phenyl]methyl]methanesulfonamide is sourced from PubChem (CID 75385456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).