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

C14H13N3OS — CID 139697848

IUPAC2-[(1-cyclopropylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole
SMILESc1coc(-c2csc(Cc3cn(C4CC4)cn3)n2)c1
InChIInChI=1S/C14H13N3OS/c1-2-13(18-5-1)12-8-19-14(16-12)6-10-7-17(9-15-10)11-3-4-11/h1-2,5,7-9,11H,3-4,6H2
InChIKeyRYJYGDUWEIHNGG-UHFFFAOYSA-N
MW271.34 g/mol
LogP3.53
Rot. Bonds4

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

2-[(1-cyclopropylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole (PubChem CID 139697848) has the molecular formula C14H13N3OS and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-[(1-cyclopropylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-[(1-cyclopropylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole
PubChem CID139697848
Molecular FormulaC14H13N3OS
Molecular Weight271.34 g/mol
Exact Mass271.08
IUPAC Name2-[(1-cyclopropylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole
SMILESc1coc(-c2csc(Cc3cn(C4CC4)cn3)n2)c1
InChIInChI=1S/C14H13N3OS/c1-2-13(18-5-1)12-8-19-14(16-12)6-10-7-17(9-15-10)11-3-4-11/h1-2,5,7-9,11H,3-4,6H2
InChIKeyRYJYGDUWEIHNGG-UHFFFAOYSA-N
XLogP3.53
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-(2-furylmethyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
CID 2901742
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
5-(5-Methyl-2-furyl)-3-[2-(1,3-thiazol-2-yl)-1-pyrrolidinyl]-1,2,4-triazine
CID 45199136
4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole
CID 53575443
2-(furan-2-yl)-4-[(1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methyl]-1,3-thiazole
CID 53579400
(5-{1-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1H-imidazol-2-yl}-2-furyl)methanol
CID 70711085
1-(furan-2-yl)-N-methyl-N-[[7-(1,3-thiazol-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine
CID 97467609

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole?
The IUPAC name of 2-[(1-cyclopropylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole (CID 139697848) is 2-[(1-cyclopropylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-[(1-cyclopropylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole?
The canonical SMILES for 2-[(1-cyclopropylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole is c1coc(-c2csc(Cc3cn(C4CC4)cn3)n2)c1.
What is the InChIKey of 2-[(1-cyclopropylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole?
The InChIKey is RYJYGDUWEIHNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-2-13(18-5-1)12-8-19-14(16-12)6-10-7-17(9-15-10)11-3-4-11/h1-2,5,7-9,11H,3-4,6H2.
What are the key properties of 2-[(1-cyclopropylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole?
2-[(1-cyclopropylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole has a molecular weight of 271.34 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropylimidazol-4-yl)methyl]-4-(furan-2-yl)-1,3-thiazole is sourced from PubChem (CID 139697848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).