4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine

C14H15N3OS — CID 2561726

IUPAC4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine
SMILESCc1cc(-c2csc(N)n2)c(C)n1Cc1ccco1
InChIInChI=1S/C14H15N3OS/c1-9-6-12(13-8-19-14(15)16-13)10(2)17(9)7-11-4-3-5-18-11/h3-6,8H,7H2,1-2H3,(H2,15,16)
InChIKeyPOACZSMWWHXKLS-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.45
Rot. Bonds3

About 4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine

4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine (PubChem CID 2561726) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine
PubChem CID2561726
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine
SMILESCc1cc(-c2csc(N)n2)c(C)n1Cc1ccco1
InChIInChI=1S/C14H15N3OS/c1-9-6-12(13-8-19-14(15)16-13)10(2)17(9)7-11-4-3-5-18-11/h3-6,8H,7H2,1-2H3,(H2,15,16)
InChIKeyPOACZSMWWHXKLS-UHFFFAOYSA-N
XLogP3.45
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine (CID 2561726) is 4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine is Cc1cc(-c2csc(N)n2)c(C)n1Cc1ccco1.
What is the InChIKey of 4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine?
The InChIKey is POACZSMWWHXKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-9-6-12(13-8-19-14(15)16-13)10(2)17(9)7-11-4-3-5-18-11/h3-6,8H,7H2,1-2H3,(H2,15,16).
What are the key properties of 4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine?
4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine has a molecular weight of 273.36 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 2561726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).