5-[(2-chloro-4-pyridinyl)oxy]-4-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,3-thiazole

C17H16ClN3OS — CID 169196626

IUPAC5-[(2-chloro-4-pyridinyl)oxy]-4-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,3-thiazole
SMILESCc1cccc(-c2nc(C(C)C)sc2Oc2ccnc(Cl)c2)n1
InChIInChI=1S/C17H16ClN3OS/c1-10(2)16-21-15(13-6-4-5-11(3)20-13)17(23-16)22-12-7-8-19-14(18)9-12/h4-10H,1-3H3
InChIKeyJTVSADVGHIIULB-UHFFFAOYSA-N
MW345.86 g/mol
LogP5.48
Rot. Bonds4

About 5-[(2-chloro-4-pyridinyl)oxy]-4-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,3-thiazole

5-[(2-chloro-4-pyridinyl)oxy]-4-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,3-thiazole (PubChem CID 169196626) has the molecular formula C17H16ClN3OS and a molecular weight of 345.86 g/mol. Its IUPAC name is 5-[(2-chloro-4-pyridinyl)oxy]-4-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-[(2-chloro-4-pyridinyl)oxy]-4-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,3-thiazole
PubChem CID169196626
Molecular FormulaC17H16ClN3OS
Molecular Weight345.86 g/mol
Exact Mass345.07
IUPAC Name5-[(2-chloro-4-pyridinyl)oxy]-4-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,3-thiazole
SMILESCc1cccc(-c2nc(C(C)C)sc2Oc2ccnc(Cl)c2)n1
InChIInChI=1S/C17H16ClN3OS/c1-10(2)16-21-15(13-6-4-5-11(3)20-13)17(23-16)22-12-7-8-19-14(18)9-12/h4-10H,1-3H3
InChIKeyJTVSADVGHIIULB-UHFFFAOYSA-N
XLogP5.48
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.86
LogP ≤ 55.48
H-Bond Donors ≤ 50
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-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,3-thiazole 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]-N,N-dimethyl-4-phenyl-1,3-thiazol-2-amine
CID 169196519
[5-[(2-chloro-4-pyridinyl)oxy]-4-phenyl-1,3-thiazol-2-yl]carbamic acid
CID 170167158
6-[[4-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxamide
CID 169196493
methyl 6-[[4-[(4-phenyl-2-propan-2-yl-1,3-thiazol-5-yl)oxy]-2-pyridinyl]amino]pyridine-2-carboxylate
CID 169196678
4-[[4-[[2-ethyl-4-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]pyridine-2-carboxylic acid
CID 169196419
6-[[4-[[2-(dimethylamino)-4-(6-methyl-2-pyridinyl)-1,3-thiazol-5-yl]oxy]-2-pyridinyl]amino]-N-methylpyridine-3-carboxamide
CID 169196581
3-[(2-chloro-4-pyridinyl)oxy]-2-phenyl-6-propan-2-ylpyridine
CID 162781529
5-[(2-chloro-4-pyridinyl)oxy]-2-(cyclopenten-1-yl)-4-phenyl-1,3-thiazole
CID 169196635
4-(4-bromo-2-propan-2-ylphenoxy)-2-chloropyridine
CID 113302886
2-[2-bromo-5-[(2-chloro-4-pyridinyl)oxy]-1,3-thiazol-4-yl]naphthalene-1-carbaldehyde
CID 170165844
2-chloro-4-(2-methoxyphenoxy)pyridine
CID 63777956

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-pyridinyl)oxy]-4-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 5-[(2-chloro-4-pyridinyl)oxy]-4-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,3-thiazole (CID 169196626) is 5-[(2-chloro-4-pyridinyl)oxy]-4-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 5-[(2-chloro-4-pyridinyl)oxy]-4-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 5-[(2-chloro-4-pyridinyl)oxy]-4-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,3-thiazole is Cc1cccc(-c2nc(C(C)C)sc2Oc2ccnc(Cl)c2)n1.
What is the InChIKey of 5-[(2-chloro-4-pyridinyl)oxy]-4-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,3-thiazole?
The InChIKey is JTVSADVGHIIULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3OS/c1-10(2)16-21-15(13-6-4-5-11(3)20-13)17(23-16)22-12-7-8-19-14(18)9-12/h4-10H,1-3H3.
What are the key properties of 5-[(2-chloro-4-pyridinyl)oxy]-4-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,3-thiazole?
5-[(2-chloro-4-pyridinyl)oxy]-4-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,3-thiazole has a molecular weight of 345.86 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-pyridinyl)oxy]-4-(6-methyl-2-pyridinyl)-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 169196626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).