N-(3-cyanophenoxy)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide

C15H13N3O3S — CID 166249191

IUPACN-(3-cyanophenoxy)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
SMILESN#Cc1cccc(ONC(=O)c2csc(C3CCCO3)n2)c1
InChIInChI=1S/C15H13N3O3S/c16-8-10-3-1-4-11(7-10)21-18-14(19)12-9-22-15(17-12)13-5-2-6-20-13/h1,3-4,7,9,13H,2,5-6H2,(H,18,19)
InChIKeyNMVVCWIEXOCXTH-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.59
Rot. Bonds4

About N-(3-cyanophenoxy)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide

N-(3-cyanophenoxy)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 166249191) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-(3-cyanophenoxy)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenoxy)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID166249191
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC NameN-(3-cyanophenoxy)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
SMILESN#Cc1cccc(ONC(=O)c2csc(C3CCCO3)n2)c1
InChIInChI=1S/C15H13N3O3S/c16-8-10-3-1-4-11(7-10)21-18-14(19)12-9-22-15(17-12)13-5-2-6-20-13/h1,3-4,7,9,13H,2,5-6H2,(H,18,19)
InChIKeyNMVVCWIEXOCXTH-UHFFFAOYSA-N
XLogP2.59
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 120530552
(2R)-2-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 120526981
4-methyl-3-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]benzoic acid
CID 120522343
4-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]butanoic acid
CID 120513455
cis-(1R,3S)-3-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678709
N-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
CID 109476494
N-(7-chloro-1H-indazol-3-yl)-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide
CID 97244097
N-(2-methoxycycloheptyl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
CID 84590927
N-(4-methyl-2-oxo-1H-quinolin-6-yl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
CID 167921664
2-[(2R)-oxolan-2-yl]-N-[(2S)-2-phenylpropyl]sulfonyl-1,3-thiazole-4-carboxamide
CID 99718728
2-[(2R)-oxolan-2-yl]-N-[(2R)-2-phenylpropyl]sulfonyl-1,3-thiazole-4-carboxamide
CID 99718727
N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole-4-carboxamide
CID 97331883

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenoxy)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(3-cyanophenoxy)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide (CID 166249191) is N-(3-cyanophenoxy)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(3-cyanophenoxy)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(3-cyanophenoxy)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide is N#Cc1cccc(ONC(=O)c2csc(C3CCCO3)n2)c1.
What is the InChIKey of N-(3-cyanophenoxy)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is NMVVCWIEXOCXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c16-8-10-3-1-4-11(7-10)21-18-14(19)12-9-22-15(17-12)13-5-2-6-20-13/h1,3-4,7,9,13H,2,5-6H2,(H,18,19).
What are the key properties of N-(3-cyanophenoxy)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide?
N-(3-cyanophenoxy)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenoxy)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 166249191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).