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

C16H29N3S2 — CID 79381202

IUPAC2-methyl-N-[[2-(3-methylthiomorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)c1nc(N2CCSCC2C)sc1CNC(C)(C)C
InChIInChI=1S/C16H29N3S2/c1-11(2)14-13(9-17-16(4,5)6)21-15(18-14)19-7-8-20-10-12(19)3/h11-12,17H,7-10H2,1-6H3
InChIKeyXBIRFQQBZUMRBY-UHFFFAOYSA-N
MW327.56 g/mol
LogP4.10
Rot. Bonds4

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

2-methyl-N-[[2-(3-methylthiomorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 79381202) has the molecular formula C16H29N3S2 and a molecular weight of 327.56 g/mol. Its IUPAC name is 2-methyl-N-[[2-(3-methylthiomorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(3-methylthiomorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID79381202
Molecular FormulaC16H29N3S2
Molecular Weight327.56 g/mol
Exact Mass327.18
IUPAC Name2-methyl-N-[[2-(3-methylthiomorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCC(C)c1nc(N2CCSCC2C)sc1CNC(C)(C)C
InChIInChI=1S/C16H29N3S2/c1-11(2)14-13(9-17-16(4,5)6)21-15(18-14)19-7-8-20-10-12(19)3/h11-12,17H,7-10H2,1-6H3
InChIKeyXBIRFQQBZUMRBY-UHFFFAOYSA-N
XLogP4.10
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.56
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(3-methylthiomorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(3-methylthiomorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 79381202) is 2-methyl-N-[[2-(3-methylthiomorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(3-methylthiomorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(3-methylthiomorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine is CC(C)c1nc(N2CCSCC2C)sc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[2-(3-methylthiomorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is XBIRFQQBZUMRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S2/c1-11(2)14-13(9-17-16(4,5)6)21-15(18-14)19-7-8-20-10-12(19)3/h11-12,17H,7-10H2,1-6H3.
What are the key properties of 2-methyl-N-[[2-(3-methylthiomorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine?
2-methyl-N-[[2-(3-methylthiomorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 327.56 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(3-methylthiomorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 79381202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).