1-chloro-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]isoquinoline-3-carboxamide

C17H10ClN3O2S — CID 55780190

IUPAC1-chloro-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]isoquinoline-3-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)cs1)c1cc2ccccc2c(Cl)n1
InChIInChI=1S/C17H10ClN3O2S/c18-15-11-5-2-1-4-10(11)8-12(19-15)16(22)21-17-20-13(9-24-17)14-6-3-7-23-14/h1-9H,(H,20,21,22)
InChIKeyIZUHBWDQFXSYPG-UHFFFAOYSA-N
MW355.81 g/mol
LogP4.86
Rot. Bonds3

About 1-chloro-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]isoquinoline-3-carboxamide

1-chloro-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]isoquinoline-3-carboxamide (PubChem CID 55780190) has the molecular formula C17H10ClN3O2S and a molecular weight of 355.81 g/mol. Its IUPAC name is 1-chloro-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]isoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-chloro-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]isoquinoline-3-carboxamide
PubChem CID55780190
Molecular FormulaC17H10ClN3O2S
Molecular Weight355.81 g/mol
Exact Mass355.02
IUPAC Name1-chloro-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]isoquinoline-3-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)cs1)c1cc2ccccc2c(Cl)n1
InChIInChI=1S/C17H10ClN3O2S/c18-15-11-5-2-1-4-10(11)8-12(19-15)16(22)21-17-20-13(9-24-17)14-6-3-7-23-14/h1-9H,(H,20,21,22)
InChIKeyIZUHBWDQFXSYPG-UHFFFAOYSA-N
XLogP4.86
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.81
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 90509929
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121089476
2-(furan-2-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 36771348
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 47036926
(2R,3S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 124565914
(2R,3R)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 124565913
5-(furan-2-yl)-N-[4-(3-oxo-4H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 146021877
5-chloro-1-[(2-chlorophenyl)methyl]-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-3-methylpyrazole-4-carboxamide
CID 55725553
1-chloro-N-(2-fluorophenyl)isoquinoline-3-carboxamide
CID 43164786
N-[4-[(4-chlorophenoxy)methyl]-1,3-thiazol-2-yl]-2-(furan-2-yl)quinoline-4-carboxamide
CID 2100834
ethyl 2-[[4-(furan-2-yl)-1,3-thiazol-2-yl]amino]-2-oxoacetate
CID 3068161
2-(furan-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 36703482

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]isoquinoline-3-carboxamide?
The IUPAC name of 1-chloro-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]isoquinoline-3-carboxamide (CID 55780190) is 1-chloro-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]isoquinoline-3-carboxamide.
What is the SMILES notation for 1-chloro-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]isoquinoline-3-carboxamide?
The canonical SMILES for 1-chloro-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]isoquinoline-3-carboxamide is O=C(Nc1nc(-c2ccco2)cs1)c1cc2ccccc2c(Cl)n1.
What is the InChIKey of 1-chloro-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]isoquinoline-3-carboxamide?
The InChIKey is IZUHBWDQFXSYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClN3O2S/c18-15-11-5-2-1-4-10(11)8-12(19-15)16(22)21-17-20-13(9-24-17)14-6-3-7-23-14/h1-9H,(H,20,21,22).
What are the key properties of 1-chloro-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]isoquinoline-3-carboxamide?
1-chloro-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]isoquinoline-3-carboxamide has a molecular weight of 355.81 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]isoquinoline-3-carboxamide is sourced from PubChem (CID 55780190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).