(3R)-N-[5-(3-chloroisoquinolin-6-yl)-1,3-thiazol-2-yl]oxolane-3-carboxamide

C17H14ClN3O2S — CID 168925210

IUPAC(3R)-N-[5-(3-chloroisoquinolin-6-yl)-1,3-thiazol-2-yl]oxolane-3-carboxamide
SMILESO=C(Nc1ncc(-c2ccc3cnc(Cl)cc3c2)s1)[C@@H]1CCOC1
InChIInChI=1S/C17H14ClN3O2S/c18-15-6-13-5-10(1-2-11(13)7-19-15)14-8-20-17(24-14)21-16(22)12-3-4-23-9-12/h1-2,5-8,12H,3-4,9H2,(H,20,21,22)/t12-/m1/s1
InChIKeyVJGIATGHNFEMEJ-GFCCVEGCSA-N
MW359.84 g/mol
LogP3.99
Rot. Bonds3

About (3R)-N-[5-(3-chloroisoquinolin-6-yl)-1,3-thiazol-2-yl]oxolane-3-carboxamide

(3R)-N-[5-(3-chloroisoquinolin-6-yl)-1,3-thiazol-2-yl]oxolane-3-carboxamide (PubChem CID 168925210) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is (3R)-N-[5-(3-chloroisoquinolin-6-yl)-1,3-thiazol-2-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[5-(3-chloroisoquinolin-6-yl)-1,3-thiazol-2-yl]oxolane-3-carboxamide
PubChem CID168925210
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC Name(3R)-N-[5-(3-chloroisoquinolin-6-yl)-1,3-thiazol-2-yl]oxolane-3-carboxamide
SMILESO=C(Nc1ncc(-c2ccc3cnc(Cl)cc3c2)s1)[C@@H]1CCOC1
InChIInChI=1S/C17H14ClN3O2S/c18-15-6-13-5-10(1-2-11(13)7-19-15)14-8-20-17(24-14)21-16(22)12-3-4-23-9-12/h1-2,5-8,12H,3-4,9H2,(H,20,21,22)/t12-/m1/s1
InChIKeyVJGIATGHNFEMEJ-GFCCVEGCSA-N
XLogP3.99
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 53.99
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-[5-(3-chloroisoquinolin-6-yl)-1,3-thiazol-2-yl]thiane-4-carboxamide
CID 176646521
N-[5-(3-chloroisoquinolin-6-yl)-1,3-thiazol-2-yl]-1,1-dioxothiane-4-carboxamide
CID 168925382
N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)oxane-4-carboxamide
CID 168925799
N-[5-(4-cyano-3-propan-2-ylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 168925758
N-(5-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 10125249
(E)-3-[2-(oxolane-3-carbonylamino)-1,3-thiazol-5-yl]prop-2-enoic acid
CID 109374924
N-(5-cinnolin-6-yl-1,3-thiazol-2-yl)-2-(oxan-4-yl)acetamide
CID 176646504
N-(5-isoquinolin-6-yl-1,3,4-thiadiazol-2-yl)oxane-4-carboxamide
CID 168925845
N-[5-(4-hydroxybut-1-ynyl)-1,3-thiazol-2-yl]oxolane-3-carboxamide
CID 61277085
N-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)oxolane-3-carboxamide;methane
CID 159604723
N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87405192
(2S,3S)-N-[5-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-methyl-1,4-dioxane-2-carboxamide
CID 138023538

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[5-(3-chloroisoquinolin-6-yl)-1,3-thiazol-2-yl]oxolane-3-carboxamide?
The IUPAC name of (3R)-N-[5-(3-chloroisoquinolin-6-yl)-1,3-thiazol-2-yl]oxolane-3-carboxamide (CID 168925210) is (3R)-N-[5-(3-chloroisoquinolin-6-yl)-1,3-thiazol-2-yl]oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[5-(3-chloroisoquinolin-6-yl)-1,3-thiazol-2-yl]oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-[5-(3-chloroisoquinolin-6-yl)-1,3-thiazol-2-yl]oxolane-3-carboxamide is O=C(Nc1ncc(-c2ccc3cnc(Cl)cc3c2)s1)[C@@H]1CCOC1.
What is the InChIKey of (3R)-N-[5-(3-chloroisoquinolin-6-yl)-1,3-thiazol-2-yl]oxolane-3-carboxamide?
The InChIKey is VJGIATGHNFEMEJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c18-15-6-13-5-10(1-2-11(13)7-19-15)14-8-20-17(24-14)21-16(22)12-3-4-23-9-12/h1-2,5-8,12H,3-4,9H2,(H,20,21,22)/t12-/m1/s1.
What are the key properties of (3R)-N-[5-(3-chloroisoquinolin-6-yl)-1,3-thiazol-2-yl]oxolane-3-carboxamide?
(3R)-N-[5-(3-chloroisoquinolin-6-yl)-1,3-thiazol-2-yl]oxolane-3-carboxamide has a molecular weight of 359.84 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[5-(3-chloroisoquinolin-6-yl)-1,3-thiazol-2-yl]oxolane-3-carboxamide is sourced from PubChem (CID 168925210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).