N-methyl-N-(2-methylsulfonylethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine

C11H21N3O2S2 — CID 79858515

IUPACN-methyl-N-(2-methylsulfonylethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1cnc(N(C)CCS(C)(=O)=O)s1
InChIInChI=1S/C11H21N3O2S2/c1-4-5-12-8-10-9-13-11(17-10)14(2)6-7-18(3,15)16/h9,12H,4-8H2,1-3H3
InChIKeyRMQLVOUPIFKYIM-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.12
Rot. Bonds8

About N-methyl-N-(2-methylsulfonylethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine

N-methyl-N-(2-methylsulfonylethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 79858515) has the molecular formula C11H21N3O2S2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-methyl-N-(2-methylsulfonylethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-(2-methylsulfonylethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
PubChem CID79858515
Molecular FormulaC11H21N3O2S2
Molecular Weight291.44 g/mol
Exact Mass291.11
IUPAC NameN-methyl-N-(2-methylsulfonylethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1cnc(N(C)CCS(C)(=O)=O)s1
InChIInChI=1S/C11H21N3O2S2/c1-4-5-12-8-10-9-13-11(17-10)14(2)6-7-18(3,15)16/h9,12H,4-8H2,1-3H3
InChIKeyRMQLVOUPIFKYIM-UHFFFAOYSA-N
XLogP1.12
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-5-[(2-methylsulfonylethylamino)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 115596007
N-methyl-N-pentan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62749940
N-[[2-(propylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82423466
N-pentyl-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62754981
N-[(3-fluorophenyl)methyl]-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62751596
N-cyclopropyl-N-propyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62749927
N-(2-methylpropyl)-N-propan-2-yl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62752743
N-ethyl-5-(ethylaminomethyl)-N-methyl-1,3-thiazol-2-amine
CID 62749898
N-methyl-N-(2-methylsulfonylethyl)-3-(propylaminomethyl)pyridin-2-amine
CID 79858850
3-methylsulfonyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 61019602
N-[[2-[2-(dimethylamino)ethyl]-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82424873
N-(4-methoxyphenyl)-N-methyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62752896

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylsulfonylethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-N-(2-methylsulfonylethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine (CID 79858515) is N-methyl-N-(2-methylsulfonylethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-N-(2-methylsulfonylethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-N-(2-methylsulfonylethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine is CCCNCc1cnc(N(C)CCS(C)(=O)=O)s1.
What is the InChIKey of N-methyl-N-(2-methylsulfonylethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is RMQLVOUPIFKYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S2/c1-4-5-12-8-10-9-13-11(17-10)14(2)6-7-18(3,15)16/h9,12H,4-8H2,1-3H3.
What are the key properties of N-methyl-N-(2-methylsulfonylethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine?
N-methyl-N-(2-methylsulfonylethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 291.44 g/mol, XLogP of 1.12, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylsulfonylethyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79858515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).