N-methyl-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]-2-pyridin-4-ylethanamine

C16H21N3OS — CID 75518374

IUPACN-methyl-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]-2-pyridin-4-ylethanamine
SMILESCN(CCc1ccncc1)Cc1csc(C2CCCO2)n1
InChIInChI=1S/C16H21N3OS/c1-19(9-6-13-4-7-17-8-5-13)11-14-12-21-16(18-14)15-3-2-10-20-15/h4-5,7-8,12,15H,2-3,6,9-11H2,1H3
InChIKeyUCSVOXJLVWAFLD-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.06
Rot. Bonds6

About N-methyl-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]-2-pyridin-4-ylethanamine

N-methyl-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]-2-pyridin-4-ylethanamine (PubChem CID 75518374) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-methyl-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-methyl-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]-2-pyridin-4-ylethanamine
PubChem CID75518374
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-methyl-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]-2-pyridin-4-ylethanamine
SMILESCN(CCc1ccncc1)Cc1csc(C2CCCO2)n1
InChIInChI=1S/C16H21N3OS/c1-19(9-6-13-4-7-17-8-5-13)11-14-12-21-16(18-14)15-3-2-10-20-15/h4-5,7-8,12,15H,2-3,6,9-11H2,1H3
InChIKeyUCSVOXJLVWAFLD-UHFFFAOYSA-N
XLogP3.06
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]-2-pyridin-4-ylethanamine?
The IUPAC name of N-methyl-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]-2-pyridin-4-ylethanamine (CID 75518374) is N-methyl-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-methyl-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]-2-pyridin-4-ylethanamine?
The canonical SMILES for N-methyl-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]-2-pyridin-4-ylethanamine is CN(CCc1ccncc1)Cc1csc(C2CCCO2)n1.
What is the InChIKey of N-methyl-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]-2-pyridin-4-ylethanamine?
The InChIKey is UCSVOXJLVWAFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-19(9-6-13-4-7-17-8-5-13)11-14-12-21-16(18-14)15-3-2-10-20-15/h4-5,7-8,12,15H,2-3,6,9-11H2,1H3.
What are the key properties of N-methyl-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]-2-pyridin-4-ylethanamine?
N-methyl-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]-2-pyridin-4-ylethanamine has a molecular weight of 303.43 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(oxolan-2-yl)-1,3-thiazol-4-yl]methyl]-2-pyridin-4-ylethanamine is sourced from PubChem (CID 75518374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).