2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine

C16H24N2OS2 — CID 46987786

IUPAC2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCOCCN(Cc1nc(C(C)C)cs1)Cc1sccc1C
InChIInChI=1S/C16H24N2OS2/c1-12(2)14-11-21-16(17-14)10-18(6-7-19-4)9-15-13(3)5-8-20-15/h5,8,11-12H,6-7,9-10H2,1-4H3
InChIKeyMFTGWZQOZUDPRG-UHFFFAOYSA-N
MW324.52 g/mol
LogP4.29
Rot. Bonds8

About 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine

2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 46987786) has the molecular formula C16H24N2OS2 and a molecular weight of 324.52 g/mol. Its IUPAC name is 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID46987786
Molecular FormulaC16H24N2OS2
Molecular Weight324.52 g/mol
Exact Mass324.13
IUPAC Name2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCOCCN(Cc1nc(C(C)C)cs1)Cc1sccc1C
InChIInChI=1S/C16H24N2OS2/c1-12(2)14-11-21-16(17-14)10-18(6-7-19-4)9-15-13(3)5-8-20-15/h5,8,11-12H,6-7,9-10H2,1-4H3
InChIKeyMFTGWZQOZUDPRG-UHFFFAOYSA-N
XLogP4.29
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.52
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5aS,8aS)-4-[(2-methyl-1,3-thiazol-4-yl)methyl]-7-(thiophen-2-ylmethyl)-3,5,5a,6,8,8a-hexahydro-2H-pyrrolo[3,4-f][1,4]oxazepine
CID 97420362
N,N-dimethyl-1-[(2S)-4-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]methanamine
CID 95346789
N-{[1-(2-fluorobenzyl)-4-piperidinyl]methyl}-N-[(4-isopropyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 25307851
(2-Fluorobenzyl)[(4-isopropyl-1,3-thiazol-2-yl)methyl](2-methoxyethyl)amine
CID 50948230
2-[4-[(4-Isopropyl-1,3-thiazol-2-yl)methyl]-1-(2-thienylmethyl)-2-piperazinyl]ethanol
CID 45250698
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 45867912
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-methyl-2-thiophen-2-ylethanamine
CID 56800626
N-methyl-1-(2-phenyl-1,3-thiazol-4-yl)-N-(tetrahydro-3-furanylmethyl)methanamine
CID 56910594
2-(1-Propan-2-ylpiperidin-4-yl)-4-thiophen-3-yl-1,3-thiazole
CID 16062446
2-(1-Methylpyrrolidin-3-yl)-4-(3-methylthiophen-2-yl)-1,3-thiazole
CID 18941094
2-(4-Methyl-1,3-thiazol-2-yl)-4-(thiophen-2-ylmethyl)morpholine
CID 68606232
3-ethyl-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]hex-5-en-1-amine
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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine (CID 46987786) is 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine is COCCN(Cc1nc(C(C)C)cs1)Cc1sccc1C.
What is the InChIKey of 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is MFTGWZQOZUDPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2OS2/c1-12(2)14-11-21-16(17-14)10-18(6-7-19-4)9-15-13(3)5-8-20-15/h5,8,11-12H,6-7,9-10H2,1-4H3.
What are the key properties of 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 324.52 g/mol, XLogP of 4.29, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(3-methylthiophen-2-yl)methyl]-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 46987786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).