[5-[(2-chloro-4-pyridinyl)oxy]-4-phenyl-1,3-thiazol-2-yl]carbamic acid

C15H10ClN3O3S — CID 170167158

IUPAC[5-[(2-chloro-4-pyridinyl)oxy]-4-phenyl-1,3-thiazol-2-yl]carbamic acid
SMILESO=C(O)Nc1nc(-c2ccccc2)c(Oc2ccnc(Cl)c2)s1
InChIInChI=1S/C15H10ClN3O3S/c16-11-8-10(6-7-17-11)22-13-12(9-4-2-1-3-5-9)18-14(23-13)19-15(20)21/h1-8H,(H,18,19)(H,20,21)
InChIKeyNFWAAYNKWPXVEP-UHFFFAOYSA-N
MW347.78 g/mol
LogP4.74
Rot. Bonds4

About [5-[(2-chloro-4-pyridinyl)oxy]-4-phenyl-1,3-thiazol-2-yl]carbamic acid

[5-[(2-chloro-4-pyridinyl)oxy]-4-phenyl-1,3-thiazol-2-yl]carbamic acid (PubChem CID 170167158) has the molecular formula C15H10ClN3O3S and a molecular weight of 347.78 g/mol. Its IUPAC name is [5-[(2-chloro-4-pyridinyl)oxy]-4-phenyl-1,3-thiazol-2-yl]carbamic acid.

Molecular Properties

Compound Name[5-[(2-chloro-4-pyridinyl)oxy]-4-phenyl-1,3-thiazol-2-yl]carbamic acid
PubChem CID170167158
Molecular FormulaC15H10ClN3O3S
Molecular Weight347.78 g/mol
Exact Mass347.01
IUPAC Name[5-[(2-chloro-4-pyridinyl)oxy]-4-phenyl-1,3-thiazol-2-yl]carbamic acid
SMILESO=C(O)Nc1nc(-c2ccccc2)c(Oc2ccnc(Cl)c2)s1
InChIInChI=1S/C15H10ClN3O3S/c16-11-8-10(6-7-17-11)22-13-12(9-4-2-1-3-5-9)18-14(23-13)19-15(20)21/h1-8H,(H,18,19)(H,20,21)
InChIKeyNFWAAYNKWPXVEP-UHFFFAOYSA-N
XLogP4.74
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.78
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [5-[(2-chloro-4-pyridinyl)oxy]-4-phenyl-1,3-thiazol-2-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[5-[(2-chloro-4-pyridinyl)oxy]-4-(6-methyl-2-pyridinyl)-1,3-thiazol-2-yl]carbamate
CID 169196590
5-[(2-chloro-4-pyridinyl)oxy]-2-(cyclopenten-1-yl)-4-phenyl-1,3-thiazole
CID 169196635
[5-[2-(carboxyamino)-4-phenyl-1,3-thiazole-5-carbonyl]-4-phenyl-1,3-thiazol-2-yl]carbamic acid
CID 87663118
2-chloro-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 32696405
2-[[4-[(2-amino-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-4-carboxamide
CID 169196552
methyl N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamate
CID 1220478
6-[[4-[(2-amino-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxamide
CID 169196537
3-[(2-chloro-4-pyridinyl)oxy]-2-phenyl-6-propan-2-ylpyridine
CID 162781529
3-[[4-[(2-ethyl-4-phenyl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]benzoic acid
CID 169196594
[5-(1-methylimidazol-4-yl)-4-phenyl-1,3-thiazol-2-yl]carbamic acid
CID 175254870
2-[2-bromo-5-[(2-chloro-4-pyridinyl)oxy]-1,3-thiazol-4-yl]naphthalene-1-carbaldehyde
CID 170165844
2-[3-[[4-[[2-(cyclopropylamino)-4-phenyl-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]phenyl]propan-2-ol
CID 169196646

Frequently Asked Questions

What is the IUPAC name of [5-[(2-chloro-4-pyridinyl)oxy]-4-phenyl-1,3-thiazol-2-yl]carbamic acid?
The IUPAC name of [5-[(2-chloro-4-pyridinyl)oxy]-4-phenyl-1,3-thiazol-2-yl]carbamic acid (CID 170167158) is [5-[(2-chloro-4-pyridinyl)oxy]-4-phenyl-1,3-thiazol-2-yl]carbamic acid.
What is the SMILES notation for [5-[(2-chloro-4-pyridinyl)oxy]-4-phenyl-1,3-thiazol-2-yl]carbamic acid?
The canonical SMILES for [5-[(2-chloro-4-pyridinyl)oxy]-4-phenyl-1,3-thiazol-2-yl]carbamic acid is O=C(O)Nc1nc(-c2ccccc2)c(Oc2ccnc(Cl)c2)s1.
What is the InChIKey of [5-[(2-chloro-4-pyridinyl)oxy]-4-phenyl-1,3-thiazol-2-yl]carbamic acid?
The InChIKey is NFWAAYNKWPXVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O3S/c16-11-8-10(6-7-17-11)22-13-12(9-4-2-1-3-5-9)18-14(23-13)19-15(20)21/h1-8H,(H,18,19)(H,20,21).
What are the key properties of [5-[(2-chloro-4-pyridinyl)oxy]-4-phenyl-1,3-thiazol-2-yl]carbamic acid?
[5-[(2-chloro-4-pyridinyl)oxy]-4-phenyl-1,3-thiazol-2-yl]carbamic acid has a molecular weight of 347.78 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-chloro-4-pyridinyl)oxy]-4-phenyl-1,3-thiazol-2-yl]carbamic acid is sourced from PubChem (CID 170167158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).