N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-2-propyl-1,3-thiazole-4-carboxamide

C19H21N3O3S — CID 91779564

IUPACN-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C#N)cc2)cs1
InChIInChI=1S/C19H21N3O3S/c1-2-3-18-21-16(12-26-18)19(23)22-15-8-9-24-11-17(15)25-14-6-4-13(10-20)5-7-14/h4-7,12,15,17H,2-3,8-9,11H2,1H3,(H,22,23)/t15-,17-/m1/s1
InChIKeyQBJHEUZIYDSCKN-NVXWUHKLSA-N
MW371.46 g/mol
LogP2.93
Rot. Bonds6

About N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-2-propyl-1,3-thiazole-4-carboxamide

N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-2-propyl-1,3-thiazole-4-carboxamide (PubChem CID 91779564) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-2-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-2-propyl-1,3-thiazole-4-carboxamide
PubChem CID91779564
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C#N)cc2)cs1
InChIInChI=1S/C19H21N3O3S/c1-2-3-18-21-16(12-26-18)19(23)22-15-8-9-24-11-17(15)25-14-6-4-13(10-20)5-7-14/h4-7,12,15,17H,2-3,8-9,11H2,1H3,(H,22,23)/t15-,17-/m1/s1
InChIKeyQBJHEUZIYDSCKN-NVXWUHKLSA-N
XLogP2.93
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]thiophene-2-carboxamide
CID 91798129
N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 91775509
N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-propan-2-ylpyrazole-4-carboxamide
CID 91762696
N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 91778480
2-methylsulfanyl-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]-1,3-thiazole-4-carboxamide
CID 91772566
4-[(3S,4R)-4-[[4-(hydroxymethyl)pyridine-2-carbonyl]amino]oxan-3-yl]oxybenzoic acid
CID 91774592
5-ethyl-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]thiophene-3-carboxamide
CID 91780113
3-cyano-N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]benzamide
CID 91768615
4-[(3S,4R)-4-[(2-ethylpyrimidine-5-carbonyl)amino]oxan-3-yl]oxybenzoic acid
CID 91791344
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-1-ethylpyrazole-4-carboxamide
CID 91786321
N-[(3R,4R)-4-(4-cyanophenoxy)oxan-3-yl]-3-cyclopropyl-1,2-oxazole-5-carboxamide
CID 91760636
N-[(3S,4R)-3-[4-(hydroxymethyl)phenoxy]oxan-4-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 91761760

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-2-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-2-propyl-1,3-thiazole-4-carboxamide (CID 91779564) is N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-2-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-2-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-2-propyl-1,3-thiazole-4-carboxamide is CCCc1nc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C#N)cc2)cs1.
What is the InChIKey of N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-2-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is QBJHEUZIYDSCKN-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H21N3O3S/c1-2-3-18-21-16(12-26-18)19(23)22-15-8-9-24-11-17(15)25-14-6-4-13(10-20)5-7-14/h4-7,12,15,17H,2-3,8-9,11H2,1H3,(H,22,23)/t15-,17-/m1/s1.
What are the key properties of N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-2-propyl-1,3-thiazole-4-carboxamide?
N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-2-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-(4-cyanophenoxy)oxan-4-yl]-2-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 91779564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).