4-[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine

C11H15N3OS2 — CID 82432860

IUPAC4-[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
SMILESCCCc1nc(COC)sc1-c1csc(N)n1
InChIInChI=1S/C11H15N3OS2/c1-3-4-7-10(8-6-16-11(12)14-8)17-9(13-7)5-15-2/h6H,3-5H2,1-2H3,(H2,12,14)
InChIKeyUFWZGIDKAUKBIA-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.95
Rot. Bonds5

About 4-[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine

4-[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine (PubChem CID 82432860) has the molecular formula C11H15N3OS2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
PubChem CID82432860
Molecular FormulaC11H15N3OS2
Molecular Weight269.39 g/mol
Exact Mass269.07
IUPAC Name4-[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
SMILESCCCc1nc(COC)sc1-c1csc(N)n1
InChIInChI=1S/C11H15N3OS2/c1-3-4-7-10(8-6-16-11(12)14-8)17-9(13-7)5-15-2/h6H,3-5H2,1-2H3,(H2,12,14)
InChIKeyUFWZGIDKAUKBIA-UHFFFAOYSA-N
XLogP2.95
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(methoxymethyl)-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82441496
4-(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82432354
4-(2-cyclopropyl-4-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82432278
4-[4-ethyl-2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82429231
4-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82429533
4-[2-ethyl-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
CID 82439938
4-(4-propyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82431731
4-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82433618
4-[3-(methoxymethyl)-1,2-oxazol-5-yl]-1,3-thiazol-2-amine
CID 14814702
N-[[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 82432837
N-[[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114364603
5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-amine;hydrochloride
CID 126477214

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine (CID 82432860) is 4-[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine is CCCc1nc(COC)sc1-c1csc(N)n1.
What is the InChIKey of 4-[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
The InChIKey is UFWZGIDKAUKBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS2/c1-3-4-7-10(8-6-16-11(12)14-8)17-9(13-7)5-15-2/h6H,3-5H2,1-2H3,(H2,12,14).
What are the key properties of 4-[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine?
4-[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine has a molecular weight of 269.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 82432860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).