(E)-4-(methoxymethyl)-5-(1,3-thiazol-2-yl)pent-4-en-1-amine

C10H16N2OS — CID 103392227

IUPAC(E)-4-(methoxymethyl)-5-(1,3-thiazol-2-yl)pent-4-en-1-amine
SMILESCOC/C(=C/c1nccs1)CCCN
InChIInChI=1S/C10H16N2OS/c1-13-8-9(3-2-4-11)7-10-12-5-6-14-10/h5-7H,2-4,8,11H2,1H3/b9-7+
InChIKeyMURIFCUWBHBKAK-VQHVLOKHSA-N
MW212.32 g/mol
LogP1.91
Rot. Bonds6

About (E)-4-(methoxymethyl)-5-(1,3-thiazol-2-yl)pent-4-en-1-amine

(E)-4-(methoxymethyl)-5-(1,3-thiazol-2-yl)pent-4-en-1-amine (PubChem CID 103392227) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is (E)-4-(methoxymethyl)-5-(1,3-thiazol-2-yl)pent-4-en-1-amine.

Molecular Properties

Compound Name(E)-4-(methoxymethyl)-5-(1,3-thiazol-2-yl)pent-4-en-1-amine
PubChem CID103392227
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name(E)-4-(methoxymethyl)-5-(1,3-thiazol-2-yl)pent-4-en-1-amine
SMILESCOC/C(=C/c1nccs1)CCCN
InChIInChI=1S/C10H16N2OS/c1-13-8-9(3-2-4-11)7-10-12-5-6-14-10/h5-7H,2-4,8,11H2,1H3/b9-7+
InChIKeyMURIFCUWBHBKAK-VQHVLOKHSA-N
XLogP1.91
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2Z)-N-(2-methoxyethyl)-2-(1,3-thiazol-2-ylmethylidene)butan-1-amine
CID 104079057
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 115896003
3-[(Z)-2-methyl-3-(1,3-thiazol-2-yl)prop-2-enyl]morpholine
CID 116010747

Frequently Asked Questions

What is the IUPAC name of (E)-4-(methoxymethyl)-5-(1,3-thiazol-2-yl)pent-4-en-1-amine?
The IUPAC name of (E)-4-(methoxymethyl)-5-(1,3-thiazol-2-yl)pent-4-en-1-amine (CID 103392227) is (E)-4-(methoxymethyl)-5-(1,3-thiazol-2-yl)pent-4-en-1-amine.
What is the SMILES notation for (E)-4-(methoxymethyl)-5-(1,3-thiazol-2-yl)pent-4-en-1-amine?
The canonical SMILES for (E)-4-(methoxymethyl)-5-(1,3-thiazol-2-yl)pent-4-en-1-amine is COC/C(=C/c1nccs1)CCCN.
What is the InChIKey of (E)-4-(methoxymethyl)-5-(1,3-thiazol-2-yl)pent-4-en-1-amine?
The InChIKey is MURIFCUWBHBKAK-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-13-8-9(3-2-4-11)7-10-12-5-6-14-10/h5-7H,2-4,8,11H2,1H3/b9-7+.
What are the key properties of (E)-4-(methoxymethyl)-5-(1,3-thiazol-2-yl)pent-4-en-1-amine?
(E)-4-(methoxymethyl)-5-(1,3-thiazol-2-yl)pent-4-en-1-amine has a molecular weight of 212.32 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(methoxymethyl)-5-(1,3-thiazol-2-yl)pent-4-en-1-amine is sourced from PubChem (CID 103392227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).