4-[4-deuterio-3-[3-(1H-pyrrol-2-yl)furan-2-yl]thiophen-2-yl]-1,3-thiazole

C15H10N2OS2 — CID 91804953

IUPAC4-[4-deuterio-3-[3-(1H-pyrrol-2-yl)furan-2-yl]thiophen-2-yl]-1,3-thiazole
SMILES[2H]c1csc(-c2cscn2)c1-c1occc1-c1ccc[nH]1
InChIInChI=1S/C15H10N2OS2/c1-2-12(16-5-1)10-3-6-18-14(10)11-4-7-20-15(11)13-8-19-9-17-13/h1-9,16H/i4D
InChIKeyPGEAAPZJFRIKLY-QYKNYGDISA-N
MW299.40 g/mol
LogP5.13
Rot. Bonds3

About 4-[4-deuterio-3-[3-(1H-pyrrol-2-yl)furan-2-yl]thiophen-2-yl]-1,3-thiazole

4-[4-deuterio-3-[3-(1H-pyrrol-2-yl)furan-2-yl]thiophen-2-yl]-1,3-thiazole (PubChem CID 91804953) has the molecular formula C15H10N2OS2 and a molecular weight of 299.40 g/mol. Its IUPAC name is 4-[4-deuterio-3-[3-(1H-pyrrol-2-yl)furan-2-yl]thiophen-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[4-deuterio-3-[3-(1H-pyrrol-2-yl)furan-2-yl]thiophen-2-yl]-1,3-thiazole
PubChem CID91804953
Molecular FormulaC15H10N2OS2
Molecular Weight299.40 g/mol
Exact Mass299.03
IUPAC Name4-[4-deuterio-3-[3-(1H-pyrrol-2-yl)furan-2-yl]thiophen-2-yl]-1,3-thiazole
SMILES[2H]c1csc(-c2cscn2)c1-c1occc1-c1ccc[nH]1
InChIInChI=1S/C15H10N2OS2/c1-2-12(16-5-1)10-3-6-18-14(10)11-4-7-20-15(11)13-8-19-9-17-13/h1-9,16H/i4D
InChIKeyPGEAAPZJFRIKLY-QYKNYGDISA-N
XLogP5.13
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.40
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[4-deuterio-3-[3-(1H-pyrrol-2-yl)furan-2-yl]thiophen-2-yl]-1,3-thiazole with MolForge

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Related Compounds

4-(Furan-2-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423834
4-(Furan-2-yl)-2-pyridin-3-yl-6-thiophen-2-ylpyridine
CID 44423836
4-Furan-2-yl-2-thiophen-2-yl-pyridine
CID 44276312
Furyl(thienyl)pyrrole
CID 129782024
5-[(E)-1-[5-[2-fluoro-4-[4-(furan-3-yl)-2-methyl-3-[(1E,3E)-2-(1H-pyrrol-3-yl)penta-1,3-dienyl]pyrrol-1-yl]phenyl]-3-pyridinyl]prop-1-enyl]-1,3-thiazole
CID 163991025
2-(Furan-3-yl)-3-thiophen-2-ylpyridine
CID 91520893
2-(furan-2-yl)-3-thiophen-2-yl-1H-pyrrole
CID 18788916
3-(furan-2-yl)-4-thiophen-2-yl-1H-pyrrole
CID 54042875
methyl 5-[6-(furan-2-yl)-3-methylsulfonyl-3-(1H-pyrrol-2-yl)hexyl]thiophene-2-carboxylate
CID 57255187
4-(Furan-2-yl)thieno[2,3-b]pyridin-3-amine
CID 68390902
4-[2-[5-(Furan-2-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
CID 70073926
N-(furan-3-ylmethyl)-2-[4-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-1,3-thiazol-2-yl]acetamide
CID 71140866

Frequently Asked Questions

What is the IUPAC name of 4-[4-deuterio-3-[3-(1H-pyrrol-2-yl)furan-2-yl]thiophen-2-yl]-1,3-thiazole?
The IUPAC name of 4-[4-deuterio-3-[3-(1H-pyrrol-2-yl)furan-2-yl]thiophen-2-yl]-1,3-thiazole (CID 91804953) is 4-[4-deuterio-3-[3-(1H-pyrrol-2-yl)furan-2-yl]thiophen-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-[4-deuterio-3-[3-(1H-pyrrol-2-yl)furan-2-yl]thiophen-2-yl]-1,3-thiazole?
The canonical SMILES for 4-[4-deuterio-3-[3-(1H-pyrrol-2-yl)furan-2-yl]thiophen-2-yl]-1,3-thiazole is [2H]c1csc(-c2cscn2)c1-c1occc1-c1ccc[nH]1.
What is the InChIKey of 4-[4-deuterio-3-[3-(1H-pyrrol-2-yl)furan-2-yl]thiophen-2-yl]-1,3-thiazole?
The InChIKey is PGEAAPZJFRIKLY-QYKNYGDISA-N. The full InChI is InChI=1S/C15H10N2OS2/c1-2-12(16-5-1)10-3-6-18-14(10)11-4-7-20-15(11)13-8-19-9-17-13/h1-9,16H/i4D.
What are the key properties of 4-[4-deuterio-3-[3-(1H-pyrrol-2-yl)furan-2-yl]thiophen-2-yl]-1,3-thiazole?
4-[4-deuterio-3-[3-(1H-pyrrol-2-yl)furan-2-yl]thiophen-2-yl]-1,3-thiazole has a molecular weight of 299.40 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-deuterio-3-[3-(1H-pyrrol-2-yl)furan-2-yl]thiophen-2-yl]-1,3-thiazole is sourced from PubChem (CID 91804953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).