N-[5-(4-cyano-3-propan-2-ylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide

C19H21N3O2S — CID 168925758

IUPACN-[5-(4-cyano-3-propan-2-ylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide
SMILESCC(C)c1cc(-c2cnc(NC(=O)C3CCOCC3)s2)ccc1C#N
InChIInChI=1S/C19H21N3O2S/c1-12(2)16-9-14(3-4-15(16)10-20)17-11-21-19(25-17)22-18(23)13-5-7-24-8-6-13/h3-4,9,11-13H,5-8H2,1-2H3,(H,21,22,23)
InChIKeyMLVLZIWECAXHLB-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.17
Rot. Bonds4

About N-[5-(4-cyano-3-propan-2-ylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide

N-[5-(4-cyano-3-propan-2-ylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide (PubChem CID 168925758) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[5-(4-cyano-3-propan-2-ylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[5-(4-cyano-3-propan-2-ylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide
PubChem CID168925758
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-[5-(4-cyano-3-propan-2-ylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide
SMILESCC(C)c1cc(-c2cnc(NC(=O)C3CCOCC3)s2)ccc1C#N
InChIInChI=1S/C19H21N3O2S/c1-12(2)16-9-14(3-4-15(16)10-20)17-11-21-19(25-17)22-18(23)13-5-7-24-8-6-13/h3-4,9,11-13H,5-8H2,1-2H3,(H,21,22,23)
InChIKeyMLVLZIWECAXHLB-UHFFFAOYSA-N
XLogP4.17
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[5-(4-cyano-3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]oxane-2-carboxamide
CID 168925562
N-(5-isoquinolin-6-yl-1,3-thiazol-2-yl)oxane-4-carboxamide
CID 168925799
N-[5-(4-cyano-3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]-5,8-dioxaspiro[3.4]octane-2-carboxamide
CID 168925488
N-[5-(4-cyano-3-methoxyphenyl)-1,3-thiazol-2-yl]-1-methylpiperidine-3-carboxamide
CID 176646543
(3R)-N-[5-(3-chloroisoquinolin-6-yl)-1,3-thiazol-2-yl]oxolane-3-carboxamide
CID 168925210
N-(5-phenyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 10125249
N-[2,6-di(propan-2-yl)phenyl]oxane-4-carboxamide
CID 31962742
1-cyano-N-[5-(3-cyanophenyl)-1,3-thiazol-2-yl]pyrrolidine-3-carboxamide
CID 118980961
1-cyclopropyl-N-[5-(4-methylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 167847958
N-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87405192
1-methyl-N-(5-phenyl-1,3-thiazol-2-yl)piperidine-4-carboxamide;molecular hydrogen
CID 178083926
N-[5-[4-cyano-3-[5-[[5-(4-cyanophenyl)-1,3-thiazol-2-yl]carbamoyl]-2-oxopiperidin-3-yl]phenyl]-1,3-thiazol-2-yl]-1-methyl-6-oxopyridine-3-carboxamide
CID 168925317

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-cyano-3-propan-2-ylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide?
The IUPAC name of N-[5-(4-cyano-3-propan-2-ylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide (CID 168925758) is N-[5-(4-cyano-3-propan-2-ylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide.
What is the SMILES notation for N-[5-(4-cyano-3-propan-2-ylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide?
The canonical SMILES for N-[5-(4-cyano-3-propan-2-ylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide is CC(C)c1cc(-c2cnc(NC(=O)C3CCOCC3)s2)ccc1C#N.
What is the InChIKey of N-[5-(4-cyano-3-propan-2-ylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide?
The InChIKey is MLVLZIWECAXHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-12(2)16-9-14(3-4-15(16)10-20)17-11-21-19(25-17)22-18(23)13-5-7-24-8-6-13/h3-4,9,11-13H,5-8H2,1-2H3,(H,21,22,23).
What are the key properties of N-[5-(4-cyano-3-propan-2-ylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide?
N-[5-(4-cyano-3-propan-2-ylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-cyano-3-propan-2-ylphenyl)-1,3-thiazol-2-yl]oxane-4-carboxamide is sourced from PubChem (CID 168925758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).