4-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine

C12H16N2OS2 — CID 9420703

IUPAC4-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
SMILESCOCCNc1nc(-c2cc(C)sc2C)cs1
InChIInChI=1S/C12H16N2OS2/c1-8-6-10(9(2)17-8)11-7-16-12(14-11)13-4-5-15-3/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyIQEPDIYBQQLFJV-UHFFFAOYSA-N
MW268.41 g/mol
LogP3.55
Rot. Bonds5

About 4-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine

4-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine (PubChem CID 9420703) has the molecular formula C12H16N2OS2 and a molecular weight of 268.41 g/mol. Its IUPAC name is 4-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
PubChem CID9420703
Molecular FormulaC12H16N2OS2
Molecular Weight268.41 g/mol
Exact Mass268.07
IUPAC Name4-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
SMILESCOCCNc1nc(-c2cc(C)sc2C)cs1
InChIInChI=1S/C12H16N2OS2/c1-8-6-10(9(2)17-8)11-7-16-12(14-11)13-4-5-15-3/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyIQEPDIYBQQLFJV-UHFFFAOYSA-N
XLogP3.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2,4-dimethylphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 8962177
4-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 8961977
N-(2-methoxyethyl)-4-naphthalen-1-yl-1,3-thiazol-2-amine
CID 8962162
4-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 8962184
4-(4-bromo-2-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 82963455
N-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
CID 62941456
5-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-N,N,4-trimethyl-1,3-thiazol-2-amine
CID 82427826
4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)-1,3-thiazol-2-amine
CID 24505587
4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-propyl-1,3-thiazol-2-amine
CID 8962711
4-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 8962099
1-cyclopropyl-3-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-6-methylpyridin-2-one
CID 82525166
4-(2-amino-2-oxoethoxy)-3-chloro-N-[4-(2,5-dimethylthiophen-3-yl)-1,3-thiazol-2-yl]-5-methoxybenzamide
CID 24590822

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine (CID 9420703) is 4-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine is COCCNc1nc(-c2cc(C)sc2C)cs1.
What is the InChIKey of 4-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine?
The InChIKey is IQEPDIYBQQLFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS2/c1-8-6-10(9(2)17-8)11-7-16-12(14-11)13-4-5-15-3/h6-7H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 4-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine?
4-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine has a molecular weight of 268.41 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 9420703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).