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

C16H29N3OS — CID 62753468

IUPAC2-methyl-N-[[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCCOC1CCCN(c2ncc(CNC(C)(C)C)s2)C1
InChIInChI=1S/C16H29N3OS/c1-5-9-20-13-7-6-8-19(12-13)15-17-10-14(21-15)11-18-16(2,3)4/h10,13,18H,5-9,11-12H2,1-4H3
InChIKeyPAGZBVQADXQTBZ-UHFFFAOYSA-N
MW311.49 g/mol
LogP3.43
Rot. Bonds6

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

2-methyl-N-[[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 62753468) has the molecular formula C16H29N3OS and a molecular weight of 311.49 g/mol. Its IUPAC name is 2-methyl-N-[[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID62753468
Molecular FormulaC16H29N3OS
Molecular Weight311.49 g/mol
Exact Mass311.20
IUPAC Name2-methyl-N-[[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCCOC1CCCN(c2ncc(CNC(C)(C)C)s2)C1
InChIInChI=1S/C16H29N3OS/c1-5-9-20-13-7-6-8-19(12-13)15-17-10-14(21-15)11-18-16(2,3)4/h10,13,18H,5-9,11-12H2,1-4H3
InChIKeyPAGZBVQADXQTBZ-UHFFFAOYSA-N
XLogP3.43
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.49
LogP ≤ 53.43
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-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 62753468) is 2-methyl-N-[[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is CCCOC1CCCN(c2ncc(CNC(C)(C)C)s2)C1.
What is the InChIKey of 2-methyl-N-[[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is PAGZBVQADXQTBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-5-9-20-13-7-6-8-19(12-13)15-17-10-14(21-15)11-18-16(2,3)4/h10,13,18H,5-9,11-12H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
2-methyl-N-[[2-(3-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 311.49 g/mol, XLogP of 3.43, 6 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-propoxypiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 62753468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).