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

C19H21N3O3S — CID 168925562

IUPAC(2R)-N-[5-(4-cyano-3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]oxane-2-carboxamide
SMILESCC(C)Oc1cc(-c2cnc(NC(=O)[C@H]3CCCCO3)s2)ccc1C#N
InChIInChI=1S/C19H21N3O3S/c1-12(2)25-16-9-13(6-7-14(16)10-20)17-11-21-19(26-17)22-18(23)15-5-3-4-8-24-15/h6-7,9,11-12,15H,3-5,8H2,1-2H3,(H,21,22,23)/t15-/m1/s1
InChIKeyTXANWAZBNJEXEK-OAHLLOKOSA-N
MW371.46 g/mol
LogP3.98
Rot. Bonds5

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

(2R)-N-[5-(4-cyano-3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]oxane-2-carboxamide (PubChem CID 168925562) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is (2R)-N-[5-(4-cyano-3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]oxane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[5-(4-cyano-3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]oxane-2-carboxamide
PubChem CID168925562
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name(2R)-N-[5-(4-cyano-3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]oxane-2-carboxamide
SMILESCC(C)Oc1cc(-c2cnc(NC(=O)[C@H]3CCCCO3)s2)ccc1C#N
InChIInChI=1S/C19H21N3O3S/c1-12(2)25-16-9-13(6-7-14(16)10-20)17-11-21-19(26-17)22-18(23)15-5-3-4-8-24-15/h6-7,9,11-12,15H,3-5,8H2,1-2H3,(H,21,22,23)/t15-/m1/s1
InChIKeyTXANWAZBNJEXEK-OAHLLOKOSA-N
XLogP3.98
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[5-(4-cyano-3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]oxane-2-carboxamide?
The IUPAC name of (2R)-N-[5-(4-cyano-3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]oxane-2-carboxamide (CID 168925562) is (2R)-N-[5-(4-cyano-3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]oxane-2-carboxamide.
What is the SMILES notation for (2R)-N-[5-(4-cyano-3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]oxane-2-carboxamide?
The canonical SMILES for (2R)-N-[5-(4-cyano-3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]oxane-2-carboxamide is CC(C)Oc1cc(-c2cnc(NC(=O)[C@H]3CCCCO3)s2)ccc1C#N.
What is the InChIKey of (2R)-N-[5-(4-cyano-3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]oxane-2-carboxamide?
The InChIKey is TXANWAZBNJEXEK-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-12(2)25-16-9-13(6-7-14(16)10-20)17-11-21-19(26-17)22-18(23)15-5-3-4-8-24-15/h6-7,9,11-12,15H,3-5,8H2,1-2H3,(H,21,22,23)/t15-/m1/s1.
What are the key properties of (2R)-N-[5-(4-cyano-3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]oxane-2-carboxamide?
(2R)-N-[5-(4-cyano-3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]oxane-2-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[5-(4-cyano-3-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]oxane-2-carboxamide is sourced from PubChem (CID 168925562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).