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

C13H19N3OS2 — CID 82439938

IUPAC4-[2-ethyl-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1nc(-c2sc(CC)nc2COC)cs1
InChIInChI=1S/C13H19N3OS2/c1-4-6-14-13-16-10(8-18-13)12-9(7-17-3)15-11(5-2)19-12/h8H,4-7H2,1-3H3,(H,14,16)
InChIKeyFIROPASSDGZAHJ-UHFFFAOYSA-N
MW297.45 g/mol
LogP3.80
Rot. Bonds7

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

4-[2-ethyl-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 82439938) has the molecular formula C13H19N3OS2 and a molecular weight of 297.45 g/mol. Its IUPAC name is 4-[2-ethyl-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-ethyl-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
PubChem CID82439938
Molecular FormulaC13H19N3OS2
Molecular Weight297.45 g/mol
Exact Mass297.10
IUPAC Name4-[2-ethyl-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1nc(-c2sc(CC)nc2COC)cs1
InChIInChI=1S/C13H19N3OS2/c1-4-6-14-13-16-10(8-18-13)12-9(7-17-3)15-11(5-2)19-12/h8H,4-7H2,1-3H3,(H,14,16)
InChIKeyFIROPASSDGZAHJ-UHFFFAOYSA-N
XLogP3.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-butyl-4-[4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82439892
4-[4-ethyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
CID 82429537
4-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-propyl-1,3-thiazol-2-amine
CID 82515705
4-(2-methyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine
CID 82431258
4-[2-(methoxymethyl)-4-propyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82432860
5-(2-ethyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3,4-thiadiazol-2-amine
CID 82431302
N,N-diethyl-4-methyl-5-[2-(propylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
CID 82427850
4-(4-methoxyphenyl)-N-propyl-1,3-thiazol-2-amine
CID 8962689
4-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 82425564
4-(2,6-difluorophenyl)-N-propyl-1,3-thiazol-2-amine
CID 60676021
N-ethyl-4-(4-propan-2-yl-2-propyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 82433869
4-(2-ethyl-4-propan-2-yl-1,3-thiazol-5-yl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 82433621

Frequently Asked Questions

What is the IUPAC name of 4-[2-ethyl-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-ethyl-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine (CID 82439938) is 4-[2-ethyl-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-ethyl-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-ethyl-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine is CCCNc1nc(-c2sc(CC)nc2COC)cs1.
What is the InChIKey of 4-[2-ethyl-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is FIROPASSDGZAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS2/c1-4-6-14-13-16-10(8-18-13)12-9(7-17-3)15-11(5-2)19-12/h8H,4-7H2,1-3H3,(H,14,16).
What are the key properties of 4-[2-ethyl-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine?
4-[2-ethyl-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 297.45 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethyl-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82439938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).