5-[(tert-butylamino)methyl]-4-ethyl-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine

C14H27N3O2S2 — CID 79843946

IUPAC5-[(tert-butylamino)methyl]-4-ethyl-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)CCS(C)(=O)=O)sc1CNC(C)(C)C
InChIInChI=1S/C14H27N3O2S2/c1-7-11-12(10-15-14(2,3)4)20-13(16-11)17(5)8-9-21(6,18)19/h15H,7-10H2,1-6H3
InChIKeyXVAWUEJIKQTKFQ-UHFFFAOYSA-N
MW333.52 g/mol
LogP2.07
Rot. Bonds7

About 5-[(tert-butylamino)methyl]-4-ethyl-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine

5-[(tert-butylamino)methyl]-4-ethyl-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine (PubChem CID 79843946) has the molecular formula C14H27N3O2S2 and a molecular weight of 333.52 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-4-ethyl-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-4-ethyl-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine
PubChem CID79843946
Molecular FormulaC14H27N3O2S2
Molecular Weight333.52 g/mol
Exact Mass333.15
IUPAC Name5-[(tert-butylamino)methyl]-4-ethyl-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)CCS(C)(=O)=O)sc1CNC(C)(C)C
InChIInChI=1S/C14H27N3O2S2/c1-7-11-12(10-15-14(2,3)4)20-13(16-11)17(5)8-9-21(6,18)19/h15H,7-10H2,1-6H3
InChIKeyXVAWUEJIKQTKFQ-UHFFFAOYSA-N
XLogP2.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-4-ethyl-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-4-ethyl-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine (CID 79843946) is 5-[(tert-butylamino)methyl]-4-ethyl-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-4-ethyl-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-4-ethyl-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine is CCc1nc(N(C)CCS(C)(=O)=O)sc1CNC(C)(C)C.
What is the InChIKey of 5-[(tert-butylamino)methyl]-4-ethyl-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine?
The InChIKey is XVAWUEJIKQTKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2S2/c1-7-11-12(10-15-14(2,3)4)20-13(16-11)17(5)8-9-21(6,18)19/h15H,7-10H2,1-6H3.
What are the key properties of 5-[(tert-butylamino)methyl]-4-ethyl-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine?
5-[(tert-butylamino)methyl]-4-ethyl-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine has a molecular weight of 333.52 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-4-ethyl-N-methyl-N-(2-methylsulfonylethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79843946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).