2-[[2-(furan-3-yl)-1H-imidazol-5-yl]methyl]-1,3-thiazole

C11H9N3OS — CID 139697875

IUPAC2-[[2-(furan-3-yl)-1H-imidazol-5-yl]methyl]-1,3-thiazole
SMILESc1csc(Cc2cnc(-c3ccoc3)[nH]2)n1
InChIInChI=1S/C11H9N3OS/c1-3-15-7-8(1)11-13-6-9(14-11)5-10-12-2-4-16-10/h1-4,6-7H,5H2,(H,13,14)
InChIKeyHCNTXTZRTVSQRF-UHFFFAOYSA-N
MW231.28 g/mol
LogP2.72
Rot. Bonds3

About 2-[[2-(furan-3-yl)-1H-imidazol-5-yl]methyl]-1,3-thiazole

2-[[2-(furan-3-yl)-1H-imidazol-5-yl]methyl]-1,3-thiazole (PubChem CID 139697875) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is 2-[[2-(furan-3-yl)-1H-imidazol-5-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[2-(furan-3-yl)-1H-imidazol-5-yl]methyl]-1,3-thiazole
PubChem CID139697875
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC Name2-[[2-(furan-3-yl)-1H-imidazol-5-yl]methyl]-1,3-thiazole
SMILESc1csc(Cc2cnc(-c3ccoc3)[nH]2)n1
InChIInChI=1S/C11H9N3OS/c1-3-15-7-8(1)11-13-6-9(14-11)5-10-12-2-4-16-10/h1-4,6-7H,5H2,(H,13,14)
InChIKeyHCNTXTZRTVSQRF-UHFFFAOYSA-N
XLogP2.72
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2'-butyl-1-(3-furylmethyl)-1H,1'H-2,4'-biimidazole
CID 56742247
2-[2-(furan-3-yl)-1,3-thiazol-4-yl]-N-(4-methylpyrimidin-2-yl)acetamide
CID 99841989
N-[5-[1-(difluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazol-2-yl]furan-3-carboxamide
CID 32280157
N-(furan-3-ylmethyl)-N-[(3-methylimidazol-4-yl)methyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 167940114
[2-[[2-(Furan-3-yl)-1,3-thiazol-4-yl]methylsulfanyl]-3-methylimidazol-4-yl]methanol
CID 71861592
4-(furan-3-yl)-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole
CID 86185791
furan;2-(1H-imidazol-5-ylmethyl)-4-methyl-1,3-thiazole;molecular hydrogen
CID 141832349
4-Amino-2-[[2-(furan-3-yl)-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-5-carbonitrile
CID 56783686
2-(Furan-3-yl)-4-[(1-methylimidazol-2-yl)sulfanylmethyl]-1,3-thiazole
CID 60277122
6-[Furan-3-ylmethyl(methyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 61422494
5-(aminomethyl)-N-(furan-3-ylmethyl)-N-methylimidazo[2,1-b][1,3]thiazol-6-amine
CID 61422755
N-(furan-3-ylmethyl)-N-methyl-5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 61422803

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-3-yl)-1H-imidazol-5-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[2-(furan-3-yl)-1H-imidazol-5-yl]methyl]-1,3-thiazole (CID 139697875) is 2-[[2-(furan-3-yl)-1H-imidazol-5-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[2-(furan-3-yl)-1H-imidazol-5-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[2-(furan-3-yl)-1H-imidazol-5-yl]methyl]-1,3-thiazole is c1csc(Cc2cnc(-c3ccoc3)[nH]2)n1.
What is the InChIKey of 2-[[2-(furan-3-yl)-1H-imidazol-5-yl]methyl]-1,3-thiazole?
The InChIKey is HCNTXTZRTVSQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS/c1-3-15-7-8(1)11-13-6-9(14-11)5-10-12-2-4-16-10/h1-4,6-7H,5H2,(H,13,14).
What are the key properties of 2-[[2-(furan-3-yl)-1H-imidazol-5-yl]methyl]-1,3-thiazole?
2-[[2-(furan-3-yl)-1H-imidazol-5-yl]methyl]-1,3-thiazole has a molecular weight of 231.28 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-3-yl)-1H-imidazol-5-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 139697875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).