4-(furan-2-yl)-2-[(1-prop-2-enylimidazol-4-yl)methyl]-1,3-thiazole

C14H13N3OS — CID 139697851

IUPAC4-(furan-2-yl)-2-[(1-prop-2-enylimidazol-4-yl)methyl]-1,3-thiazole
SMILESC=CCn1cnc(Cc2nc(-c3ccco3)cs2)c1
InChIInChI=1S/C14H13N3OS/c1-2-5-17-8-11(15-10-17)7-14-16-12(9-19-14)13-4-3-6-18-13/h2-4,6,8-10H,1,5,7H2
InChIKeyYIMAMAOMKRQZAM-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.38
Rot. Bonds5

About 4-(furan-2-yl)-2-[(1-prop-2-enylimidazol-4-yl)methyl]-1,3-thiazole

4-(furan-2-yl)-2-[(1-prop-2-enylimidazol-4-yl)methyl]-1,3-thiazole (PubChem CID 139697851) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-[(1-prop-2-enylimidazol-4-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-(furan-2-yl)-2-[(1-prop-2-enylimidazol-4-yl)methyl]-1,3-thiazole
PubChem CID139697851
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name4-(furan-2-yl)-2-[(1-prop-2-enylimidazol-4-yl)methyl]-1,3-thiazole
SMILESC=CCn1cnc(Cc2nc(-c3ccco3)cs2)c1
InChIInChI=1S/C14H13N3OS/c1-2-5-17-8-11(15-10-17)7-14-16-12(9-19-14)13-4-3-6-18-13/h2-4,6,8-10H,1,5,7H2
InChIKeyYIMAMAOMKRQZAM-UHFFFAOYSA-N
XLogP3.38
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(Furan-2-yl)-2-pyridin-2-yl-1,3-thiazole
CID 2562136
N-(2-furanylmethyl)-4-(2-methyl-3-imidazo[1,2-a]pyridinyl)-2-thiazolamine
CID 697312
N-(4-tert-Butyl-thiazol-2-yl)-2-[1-furan-2-ylmethyl-5-(4-methoxy-phenyl)-1H-imidazol-2-ylsulfanyl]-acetamide
CID 1451092
2-((1-(furan-2-ylmethyl)-1H-imidazol-2-yl)thio)-N-(4-methylthiazol-2-yl)acetamide
CID 7151137
6-(2-Furyl)-3-(3-thienyl)imidazo [1,2-a]pyrazine
CID 117769709
N-(2-furylmethyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
CID 2901742
3-(Imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one
CID 2998689
N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-furamide
CID 3237333
4-(Furan-2-yl)-2-pyrimidin-2-yl-1,3-thiazole
CID 145968036
N-[[5-[2-[[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 10714393
N'-(furan-2-ylmethyl)-N,N-dimethyl-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]propane-1,3-diamine
CID 16676945
N,N-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-N'-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethane-1,2-diamine
CID 16677074

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-[(1-prop-2-enylimidazol-4-yl)methyl]-1,3-thiazole?
The IUPAC name of 4-(furan-2-yl)-2-[(1-prop-2-enylimidazol-4-yl)methyl]-1,3-thiazole (CID 139697851) is 4-(furan-2-yl)-2-[(1-prop-2-enylimidazol-4-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-(furan-2-yl)-2-[(1-prop-2-enylimidazol-4-yl)methyl]-1,3-thiazole?
The canonical SMILES for 4-(furan-2-yl)-2-[(1-prop-2-enylimidazol-4-yl)methyl]-1,3-thiazole is C=CCn1cnc(Cc2nc(-c3ccco3)cs2)c1.
What is the InChIKey of 4-(furan-2-yl)-2-[(1-prop-2-enylimidazol-4-yl)methyl]-1,3-thiazole?
The InChIKey is YIMAMAOMKRQZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-2-5-17-8-11(15-10-17)7-14-16-12(9-19-14)13-4-3-6-18-13/h2-4,6,8-10H,1,5,7H2.
What are the key properties of 4-(furan-2-yl)-2-[(1-prop-2-enylimidazol-4-yl)methyl]-1,3-thiazole?
4-(furan-2-yl)-2-[(1-prop-2-enylimidazol-4-yl)methyl]-1,3-thiazole has a molecular weight of 271.35 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-[(1-prop-2-enylimidazol-4-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 139697851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).