2-methyl-N-[[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine

C16H30N4S — CID 63208878

IUPAC2-methyl-N-[[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCN(CCN1CCCC1)Cc1csc(CNC(C)(C)C)n1
InChIInChI=1S/C16H30N4S/c1-16(2,3)17-11-15-18-14(13-21-15)12-19(4)9-10-20-7-5-6-8-20/h13,17H,5-12H2,1-4H3
InChIKeyZMYFBAIRIYDFGB-UHFFFAOYSA-N
MW310.51 g/mol
LogP2.56
Rot. Bonds7

About 2-methyl-N-[[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine

2-methyl-N-[[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine (PubChem CID 63208878) has the molecular formula C16H30N4S and a molecular weight of 310.51 g/mol. Its IUPAC name is 2-methyl-N-[[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
PubChem CID63208878
Molecular FormulaC16H30N4S
Molecular Weight310.51 g/mol
Exact Mass310.22
IUPAC Name2-methyl-N-[[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCN(CCN1CCCC1)Cc1csc(CNC(C)(C)C)n1
InChIInChI=1S/C16H30N4S/c1-16(2,3)17-11-15-18-14(13-21-15)12-19(4)9-10-20-7-5-6-8-20/h13,17H,5-12H2,1-4H3
InChIKeyZMYFBAIRIYDFGB-UHFFFAOYSA-N
XLogP2.56
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine (CID 63208878) is 2-methyl-N-[[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine is CN(CCN1CCCC1)Cc1csc(CNC(C)(C)C)n1.
What is the InChIKey of 2-methyl-N-[[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
The InChIKey is ZMYFBAIRIYDFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4S/c1-16(2,3)17-11-15-18-14(13-21-15)12-19(4)9-10-20-7-5-6-8-20/h13,17H,5-12H2,1-4H3.
What are the key properties of 2-methyl-N-[[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
2-methyl-N-[[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine has a molecular weight of 310.51 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 63208878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).