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

C16H19N3OS — CID 4043107

IUPACN-ethyl-4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2cc(C)n(Cc3ccco3)c2C)cs1
InChIInChI=1S/C16H19N3OS/c1-4-17-16-18-15(10-21-16)14-8-11(2)19(12(14)3)9-13-6-5-7-20-13/h5-8,10H,4,9H2,1-3H3,(H,17,18)
InChIKeyGINFUDBXTPVGLA-UHFFFAOYSA-N
MW301.42 g/mol
LogP4.30
Rot. Bonds5

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

N-ethyl-4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine (PubChem CID 4043107) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is N-ethyl-4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine
PubChem CID4043107
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC NameN-ethyl-4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine
SMILESCCNc1nc(-c2cc(C)n(Cc3ccco3)c2C)cs1
InChIInChI=1S/C16H19N3OS/c1-4-17-16-18-15(10-21-16)14-8-11(2)19(12(14)3)9-13-6-5-7-20-13/h5-8,10H,4,9H2,1-3H3,(H,17,18)
InChIKeyGINFUDBXTPVGLA-UHFFFAOYSA-N
XLogP4.30
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-ethyl-4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine (CID 4043107) is N-ethyl-4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-ethyl-4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-ethyl-4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine is CCNc1nc(-c2cc(C)n(Cc3ccco3)c2C)cs1.
What is the InChIKey of N-ethyl-4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine?
The InChIKey is GINFUDBXTPVGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-4-17-16-18-15(10-21-16)14-8-11(2)19(12(14)3)9-13-6-5-7-20-13/h5-8,10H,4,9H2,1-3H3,(H,17,18).
What are the key properties of N-ethyl-4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine?
N-ethyl-4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine has a molecular weight of 301.42 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[1-(furan-2-ylmethyl)-2,5-dimethylpyrrol-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 4043107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).