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

C11H15N3OS2 — CID 82515705

IUPAC4-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1nc(-c2csc(COC)n2)cs1
InChIInChI=1S/C11H15N3OS2/c1-3-4-12-11-14-9(7-17-11)8-6-16-10(13-8)5-15-2/h6-7H,3-5H2,1-2H3,(H,12,14)
InChIKeyNICPTMIYRBGBIA-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.23
Rot. Bonds6

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

4-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 82515705) has the molecular formula C11H15N3OS2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-propyl-1,3-thiazol-2-amine
PubChem CID82515705
Molecular FormulaC11H15N3OS2
Molecular Weight269.39 g/mol
Exact Mass269.07
IUPAC Name4-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1nc(-c2csc(COC)n2)cs1
InChIInChI=1S/C11H15N3OS2/c1-3-4-12-11-14-9(7-17-11)8-6-16-10(13-8)5-15-2/h6-7H,3-5H2,1-2H3,(H,12,14)
InChIKeyNICPTMIYRBGBIA-UHFFFAOYSA-N
XLogP3.23
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-ethyl-4-(methoxymethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
CID 82439938
4-(4-methoxyphenyl)-N-propyl-1,3-thiazol-2-amine
CID 8962689
N-butyl-4-[4-(methoxymethyl)-2-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-amine
CID 82439892
4-(5-fluoro-2-methoxyphenyl)-N-propyl-1,3-thiazol-2-amine
CID 8962681
4-(4-propoxyphenyl)-N-propyl-1,3-thiazol-2-amine
CID 63473179
4-(2,6-difluorophenyl)-N-propyl-1,3-thiazol-2-amine
CID 60676021
4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-propyl-1,3-thiazol-2-amine
CID 8962711
2-(methoxymethyl)-4-pyridin-2-yl-1,3-thiazole
CID 116969991
4-(2-methyl-4-propyl-1,3-thiazol-5-yl)-N-propyl-1,3-thiazol-2-amine
CID 82431258
4-[2-(methylsulfanylmethyl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
CID 82423280
N,N-diethyl-4-methyl-5-[2-(propylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
CID 82427850
5-[2-(methoxymethyl)-1,3-thiazol-5-yl]-N-propyl-1,3,4-thiadiazol-2-amine
CID 82424575

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-propyl-1,3-thiazol-2-amine (CID 82515705) is 4-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-propyl-1,3-thiazol-2-amine is CCCNc1nc(-c2csc(COC)n2)cs1.
What is the InChIKey of 4-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is NICPTMIYRBGBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS2/c1-3-4-12-11-14-9(7-17-11)8-6-16-10(13-8)5-15-2/h6-7H,3-5H2,1-2H3,(H,12,14).
What are the key properties of 4-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-propyl-1,3-thiazol-2-amine?
4-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 269.39 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82515705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).