2-methyl-N-[[2-(2-methylpyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine

C16H29N3S — CID 79396233

IUPAC2-methyl-N-[[2-(2-methylpyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)c1nc(N2CCCC2C)sc1CNC(C)(C)C
InChIInChI=1S/C16H29N3S/c1-11(2)14-13(10-17-16(4,5)6)20-15(18-14)19-9-7-8-12(19)3/h11-12,17H,7-10H2,1-6H3
InChIKeyFKYCONAYBBOTET-UHFFFAOYSA-N
MW295.50 g/mol
LogP4.14
Rot. Bonds4

About 2-methyl-N-[[2-(2-methylpyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine

2-methyl-N-[[2-(2-methylpyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 79396233) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is 2-methyl-N-[[2-(2-methylpyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(2-methylpyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID79396233
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC Name2-methyl-N-[[2-(2-methylpyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)c1nc(N2CCCC2C)sc1CNC(C)(C)C
InChIInChI=1S/C16H29N3S/c1-11(2)14-13(10-17-16(4,5)6)20-15(18-14)19-9-7-8-12(19)3/h11-12,17H,7-10H2,1-6H3
InChIKeyFKYCONAYBBOTET-UHFFFAOYSA-N
XLogP4.14
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(2-methylpyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(2-methylpyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 79396233) is 2-methyl-N-[[2-(2-methylpyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(2-methylpyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(2-methylpyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine is CC(C)c1nc(N2CCCC2C)sc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[2-(2-methylpyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is FKYCONAYBBOTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-11(2)14-13(10-17-16(4,5)6)20-15(18-14)19-9-7-8-12(19)3/h11-12,17H,7-10H2,1-6H3.
What are the key properties of 2-methyl-N-[[2-(2-methylpyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine?
2-methyl-N-[[2-(2-methylpyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 295.50 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(2-methylpyrrolidin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 79396233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).