2-(1H-imidazol-5-ylmethyl)-4-(5-methylfuran-2-yl)-1,3-thiazole

C12H11N3OS — CID 139697877

IUPAC2-(1H-imidazol-5-ylmethyl)-4-(5-methylfuran-2-yl)-1,3-thiazole
SMILESCc1ccc(-c2csc(Cc3cnc[nH]3)n2)o1
InChIInChI=1S/C12H11N3OS/c1-8-2-3-11(16-8)10-6-17-12(15-10)4-9-5-13-7-14-9/h2-3,5-7H,4H2,1H3,(H,13,14)
InChIKeyRHVWYVLNRHKPQQ-UHFFFAOYSA-N
MW245.31 g/mol
LogP3.03
Rot. Bonds3

About 2-(1H-imidazol-5-ylmethyl)-4-(5-methylfuran-2-yl)-1,3-thiazole

2-(1H-imidazol-5-ylmethyl)-4-(5-methylfuran-2-yl)-1,3-thiazole (PubChem CID 139697877) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 2-(1H-imidazol-5-ylmethyl)-4-(5-methylfuran-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1H-imidazol-5-ylmethyl)-4-(5-methylfuran-2-yl)-1,3-thiazole
PubChem CID139697877
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name2-(1H-imidazol-5-ylmethyl)-4-(5-methylfuran-2-yl)-1,3-thiazole
SMILESCc1ccc(-c2csc(Cc3cnc[nH]3)n2)o1
InChIInChI=1S/C12H11N3OS/c1-8-2-3-11(16-8)10-6-17-12(15-10)4-9-5-13-7-14-9/h2-3,5-7H,4H2,1H3,(H,13,14)
InChIKeyRHVWYVLNRHKPQQ-UHFFFAOYSA-N
XLogP3.03
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-benzofuran-2-yl)-2-[1-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole
CID 166631330
N-[[5-[2-[[N'-(2-pyridin-2-ylethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 10715047
N-(2-furylmethyl)-4-(2-methylimidazo[1,2-a]pyrimidin-3-yl)-1,3-thiazol-2-amine
CID 2901742
(E)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 17491683
4-(Furan-2-yl)-2-pyrimidin-2-yl-1,3-thiazole
CID 145968036
4-(1-benzofuran-2-yl)-2-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]-1,3-thiazole
CID 166627316
N-[[5-[2-[[N'-[2-(1H-imidazol-5-yl)ethyl]carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 10714393
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
Cambridge id 6537629
CID 3834183
N-(4-(furan-2-yl)thiazol-2-yl)-2-(pyrazin-2-yl)thiazole-4-carboxamide
CID 49676467

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-ylmethyl)-4-(5-methylfuran-2-yl)-1,3-thiazole?
The IUPAC name of 2-(1H-imidazol-5-ylmethyl)-4-(5-methylfuran-2-yl)-1,3-thiazole (CID 139697877) is 2-(1H-imidazol-5-ylmethyl)-4-(5-methylfuran-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-(1H-imidazol-5-ylmethyl)-4-(5-methylfuran-2-yl)-1,3-thiazole?
The canonical SMILES for 2-(1H-imidazol-5-ylmethyl)-4-(5-methylfuran-2-yl)-1,3-thiazole is Cc1ccc(-c2csc(Cc3cnc[nH]3)n2)o1.
What is the InChIKey of 2-(1H-imidazol-5-ylmethyl)-4-(5-methylfuran-2-yl)-1,3-thiazole?
The InChIKey is RHVWYVLNRHKPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c1-8-2-3-11(16-8)10-6-17-12(15-10)4-9-5-13-7-14-9/h2-3,5-7H,4H2,1H3,(H,13,14).
What are the key properties of 2-(1H-imidazol-5-ylmethyl)-4-(5-methylfuran-2-yl)-1,3-thiazole?
2-(1H-imidazol-5-ylmethyl)-4-(5-methylfuran-2-yl)-1,3-thiazole has a molecular weight of 245.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-ylmethyl)-4-(5-methylfuran-2-yl)-1,3-thiazole is sourced from PubChem (CID 139697877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).