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

C15H23N3OS — CID 8962711

IUPAC4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1nc(-c2cc(C)n(CCOC)c2C)cs1
InChIInChI=1S/C15H23N3OS/c1-5-6-16-15-17-14(10-20-15)13-9-11(2)18(12(13)3)7-8-19-4/h9-10H,5-8H2,1-4H3,(H,16,17)
InChIKeyMAWFWFZXSLSIHS-UHFFFAOYSA-N
MW293.44 g/mol
LogP3.70
Rot. Bonds7

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

4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 8962711) has the molecular formula C15H23N3OS and a molecular weight of 293.44 g/mol. Its IUPAC name is 4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-propyl-1,3-thiazol-2-amine
PubChem CID8962711
Molecular FormulaC15H23N3OS
Molecular Weight293.44 g/mol
Exact Mass293.16
IUPAC Name4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1nc(-c2cc(C)n(CCOC)c2C)cs1
InChIInChI=1S/C15H23N3OS/c1-5-6-16-15-17-14(10-20-15)13-9-11(2)18(12(13)3)7-8-19-4/h9-10H,5-8H2,1-4H3,(H,16,17)
InChIKeyMAWFWFZXSLSIHS-UHFFFAOYSA-N
XLogP3.70
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.44
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,5-dimethyl-1-propylpyrrol-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 8961977
4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 3556747
3-[2-(ethylamino)-1,3-thiazol-4-yl]-1-(2-methoxyethyl)-6-methylpyridin-2-one
CID 82524772
N-(3-ethoxypropyl)-4-(1,2,5-trimethylpyrrol-3-yl)-1,3-thiazol-2-amine
CID 9232183
2-[4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-yl]acetamide
CID 9173988
4-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 9420703
4-(2,4-dimethylphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 8962177
4-(1-butyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-amine
CID 116791225
4-acetamido-N-[4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-yl]benzamide
CID 2457145
4-[2-(methoxymethyl)-1,3-thiazol-4-yl]-N-propyl-1,3-thiazol-2-amine
CID 82515705
N-[4-(2,5-dimethyl-1-propylpyrrol-3-yl)-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 2117243
3-[2,5-dimethyl-3-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]pyrrol-1-yl]propanoate
CID 51645903

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-propyl-1,3-thiazol-2-amine (CID 8962711) is 4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-propyl-1,3-thiazol-2-amine is CCCNc1nc(-c2cc(C)n(CCOC)c2C)cs1.
What is the InChIKey of 4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is MAWFWFZXSLSIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS/c1-5-6-16-15-17-14(10-20-15)13-9-11(2)18(12(13)3)7-8-19-4/h9-10H,5-8H2,1-4H3,(H,16,17).
What are the key properties of 4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-propyl-1,3-thiazol-2-amine?
4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 293.44 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methoxyethyl)-2,5-dimethylpyrrol-3-yl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 8962711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).