N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-phenylpropane-1-sulfonamide

C14H19N3O2S2 — CID 110719646

IUPACN-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-phenylpropane-1-sulfonamide
SMILESCNc1nc(CNS(=O)(=O)CCCc2ccccc2)cs1
InChIInChI=1S/C14H19N3O2S2/c1-15-14-17-13(11-20-14)10-16-21(18,19)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,11,16H,5,8-10H2,1H3,(H,15,17)
InChIKeyVHNUMYSDUDTLPJ-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.24
Rot. Bonds8

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

N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-phenylpropane-1-sulfonamide (PubChem CID 110719646) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-phenylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-phenylpropane-1-sulfonamide
PubChem CID110719646
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC NameN-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-phenylpropane-1-sulfonamide
SMILESCNc1nc(CNS(=O)(=O)CCCc2ccccc2)cs1
InChIInChI=1S/C14H19N3O2S2/c1-15-14-17-13(11-20-14)10-16-21(18,19)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,11,16H,5,8-10H2,1H3,(H,15,17)
InChIKeyVHNUMYSDUDTLPJ-UHFFFAOYSA-N
XLogP2.24
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-phenylpropane-1-sulfonamide
CID 110728027
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylethanesulfonamide
CID 47319374
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-1-phenylmethanesulfonamide
CID 110397975
1-(4-fluorophenyl)-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]methanesulfonamide
CID 110719640
3-phenyl-N-(thiophen-2-ylmethyl)propane-1-sulfonamide
CID 110779514
4-[(dimethylsulfamoylamino)methyl]-2-(methylamino)-1,3-thiazole
CID 110719604
N-[(4-methylphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 113098105
5-methyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thiophene-2-sulfonamide
CID 110719630
N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-phenylpropane-1-sulfonamide
CID 110718507
1-benzyl-3-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]urea
CID 110397912
3-phenyl-N-[2-(1,3-thiazol-5-yl)ethyl]propane-1-sulfonamide
CID 110717616
N-[(3-methoxyphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 110779943

Frequently Asked Questions

What is the IUPAC name of N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-phenylpropane-1-sulfonamide?
The IUPAC name of N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-phenylpropane-1-sulfonamide (CID 110719646) is N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-phenylpropane-1-sulfonamide.
What is the SMILES notation for N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-phenylpropane-1-sulfonamide?
The canonical SMILES for N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-phenylpropane-1-sulfonamide is CNc1nc(CNS(=O)(=O)CCCc2ccccc2)cs1.
What is the InChIKey of N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-phenylpropane-1-sulfonamide?
The InChIKey is VHNUMYSDUDTLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-15-14-17-13(11-20-14)10-16-21(18,19)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,11,16H,5,8-10H2,1H3,(H,15,17).
What are the key properties of N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-phenylpropane-1-sulfonamide?
N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-phenylpropane-1-sulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]-3-phenylpropane-1-sulfonamide is sourced from PubChem (CID 110719646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).