3-(4-cyanophenoxy)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]azetidine-1-carboxamide

C17H18N4O2S — CID 99696787

IUPAC3-(4-cyanophenoxy)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]azetidine-1-carboxamide
SMILESCc1csc([C@H](C)NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)n1
InChIInChI=1S/C17H18N4O2S/c1-11-10-24-16(19-11)12(2)20-17(22)21-8-15(9-21)23-14-5-3-13(7-18)4-6-14/h3-6,10,12,15H,8-9H2,1-2H3,(H,20,22)/t12-/m0/s1
InChIKeyCWLQREPCGDKICV-LBPRGKRZSA-N
MW342.42 g/mol
LogP2.86
Rot. Bonds4

About 3-(4-cyanophenoxy)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]azetidine-1-carboxamide

3-(4-cyanophenoxy)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]azetidine-1-carboxamide (PubChem CID 99696787) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-(4-cyanophenoxy)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-cyanophenoxy)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]azetidine-1-carboxamide
PubChem CID99696787
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name3-(4-cyanophenoxy)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]azetidine-1-carboxamide
SMILESCc1csc([C@H](C)NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)n1
InChIInChI=1S/C17H18N4O2S/c1-11-10-24-16(19-11)12(2)20-17(22)21-8-15(9-21)23-14-5-3-13(7-18)4-6-14/h3-6,10,12,15H,8-9H2,1-2H3,(H,20,22)/t12-/m0/s1
InChIKeyCWLQREPCGDKICV-LBPRGKRZSA-N
XLogP2.86
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-cyanophenoxy)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]azetidine-1-carboxamide
CID 86792967
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-[1-(2-phenylethyl)piperidin-4-yl]oxybenzamide
CID 24817526
N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-thiophen-2-ylpiperazine-1-carboxamide
CID 97073669
4-[[3-(4-cyanophenoxy)azetidine-1-carbonyl]amino]butanoic acid
CID 122022820
3-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-propan-2-ylazetidine-1-carboxamide
CID 91915170
4-[1-(1,5-dimethylpyrrole-2-carbonyl)azetidin-3-yl]oxybenzonitrile
CID 86792894
2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 114898569
1,1-diethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 115609023
4-cyano-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 2566426
3-(4-cyanophenoxy)-N-[(3S)-5-methyl-2,3-dihydro-1-benzofuran-3-yl]azetidine-1-carboxamide
CID 99698062
N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99713896
(2R)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]piperidine-2-carboxamide
CID 113267552

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanophenoxy)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]azetidine-1-carboxamide?
The IUPAC name of 3-(4-cyanophenoxy)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]azetidine-1-carboxamide (CID 99696787) is 3-(4-cyanophenoxy)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-(4-cyanophenoxy)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]azetidine-1-carboxamide?
The canonical SMILES for 3-(4-cyanophenoxy)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]azetidine-1-carboxamide is Cc1csc([C@H](C)NC(=O)N2CC(Oc3ccc(C#N)cc3)C2)n1.
What is the InChIKey of 3-(4-cyanophenoxy)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]azetidine-1-carboxamide?
The InChIKey is CWLQREPCGDKICV-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-11-10-24-16(19-11)12(2)20-17(22)21-8-15(9-21)23-14-5-3-13(7-18)4-6-14/h3-6,10,12,15H,8-9H2,1-2H3,(H,20,22)/t12-/m0/s1.
What are the key properties of 3-(4-cyanophenoxy)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]azetidine-1-carboxamide?
3-(4-cyanophenoxy)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]azetidine-1-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanophenoxy)-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]azetidine-1-carboxamide is sourced from PubChem (CID 99696787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).