N,2,2-trimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine

C12H23N3S — CID 62461023

IUPACN,2,2-trimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
SMILESCNCc1nc(CN(C)CC(C)(C)C)cs1
InChIInChI=1S/C12H23N3S/c1-12(2,3)9-15(5)7-10-8-16-11(14-10)6-13-4/h8,13H,6-7,9H2,1-5H3
InChIKeyKKLSNVKOFNJENC-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.34
Rot. Bonds5

About N,2,2-trimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine

N,2,2-trimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine (PubChem CID 62461023) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is N,2,2-trimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
PubChem CID62461023
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC NameN,2,2-trimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine
SMILESCNCc1nc(CN(C)CC(C)(C)C)cs1
InChIInChI=1S/C12H23N3S/c1-12(2,3)9-15(5)7-10-8-16-11(14-10)6-13-4/h8,13H,6-7,9H2,1-5H3
InChIKeyKKLSNVKOFNJENC-UHFFFAOYSA-N
XLogP2.34
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N,2,2-trimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine (CID 62461023) is N,2,2-trimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N,2,2-trimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine is CNCc1nc(CN(C)CC(C)(C)C)cs1.
What is the InChIKey of N,2,2-trimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
The InChIKey is KKLSNVKOFNJENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-12(2,3)9-15(5)7-10-8-16-11(14-10)6-13-4/h8,13H,6-7,9H2,1-5H3.
What are the key properties of N,2,2-trimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine?
N,2,2-trimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine has a molecular weight of 241.40 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 62461023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).