(4-methyl-1,3-thiazol-2-yl)methyl 5,6-dichloro-2-methylpyridine-3-carboxylate

C12H10Cl2N2O2S — CID 166404542

IUPAC(4-methyl-1,3-thiazol-2-yl)methyl 5,6-dichloro-2-methylpyridine-3-carboxylate
SMILESCc1csc(COC(=O)c2cc(Cl)c(Cl)nc2C)n1
InChIInChI=1S/C12H10Cl2N2O2S/c1-6-5-19-10(15-6)4-18-12(17)8-3-9(13)11(14)16-7(8)2/h3,5H,4H2,1-2H3
InChIKeyPWUOBBGCDUQIKL-UHFFFAOYSA-N
MW317.20 g/mol
LogP3.82
Rot. Bonds3

About (4-methyl-1,3-thiazol-2-yl)methyl 5,6-dichloro-2-methylpyridine-3-carboxylate

(4-methyl-1,3-thiazol-2-yl)methyl 5,6-dichloro-2-methylpyridine-3-carboxylate (PubChem CID 166404542) has the molecular formula C12H10Cl2N2O2S and a molecular weight of 317.20 g/mol. Its IUPAC name is (4-methyl-1,3-thiazol-2-yl)methyl 5,6-dichloro-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Name(4-methyl-1,3-thiazol-2-yl)methyl 5,6-dichloro-2-methylpyridine-3-carboxylate
PubChem CID166404542
Molecular FormulaC12H10Cl2N2O2S
Molecular Weight317.20 g/mol
Exact Mass315.98
IUPAC Name(4-methyl-1,3-thiazol-2-yl)methyl 5,6-dichloro-2-methylpyridine-3-carboxylate
SMILESCc1csc(COC(=O)c2cc(Cl)c(Cl)nc2C)n1
InChIInChI=1S/C12H10Cl2N2O2S/c1-6-5-19-10(15-6)4-18-12(17)8-3-9(13)11(14)16-7(8)2/h3,5H,4H2,1-2H3
InChIKeyPWUOBBGCDUQIKL-UHFFFAOYSA-N
XLogP3.82
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-methyl-1,3-thiazol-2-yl)methyl 2-amino-3,5-dimethoxybenzoate
CID 115690511
(4-methyl-1,3-thiazol-2-yl)methyl pentanoate
CID 70669978
(4-methyl-1,3-thiazol-2-yl)methyl 2-(triazol-1-yl)benzoate
CID 75503126
1-(2,5-dichlorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 60977248
(4-methyl-1,3-thiazol-2-yl)methyl 2-(3-aminophenyl)propanoate
CID 106592387
5,6-dichloro-N-methoxy-N,2-dimethylpyridine-3-carboxamide
CID 119054669
1-(3-chlorothiophen-2-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019424
ethyl 6-chloro-5-isocyano-2-methylpyridine-3-carboxylate
CID 140911575
2-chloro-5-[(4-methyl-1,3-thiazol-2-yl)methylsulfinyl]benzoic acid
CID 113371867
methyl N-[(4-methyl-1,3-thiazol-2-yl)methyl]carbamate
CID 110739075
1-(5-chloro-2-fluorophenyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 115586851
3-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 1497792

Frequently Asked Questions

What is the IUPAC name of (4-methyl-1,3-thiazol-2-yl)methyl 5,6-dichloro-2-methylpyridine-3-carboxylate?
The IUPAC name of (4-methyl-1,3-thiazol-2-yl)methyl 5,6-dichloro-2-methylpyridine-3-carboxylate (CID 166404542) is (4-methyl-1,3-thiazol-2-yl)methyl 5,6-dichloro-2-methylpyridine-3-carboxylate.
What is the SMILES notation for (4-methyl-1,3-thiazol-2-yl)methyl 5,6-dichloro-2-methylpyridine-3-carboxylate?
The canonical SMILES for (4-methyl-1,3-thiazol-2-yl)methyl 5,6-dichloro-2-methylpyridine-3-carboxylate is Cc1csc(COC(=O)c2cc(Cl)c(Cl)nc2C)n1.
What is the InChIKey of (4-methyl-1,3-thiazol-2-yl)methyl 5,6-dichloro-2-methylpyridine-3-carboxylate?
The InChIKey is PWUOBBGCDUQIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2S/c1-6-5-19-10(15-6)4-18-12(17)8-3-9(13)11(14)16-7(8)2/h3,5H,4H2,1-2H3.
What are the key properties of (4-methyl-1,3-thiazol-2-yl)methyl 5,6-dichloro-2-methylpyridine-3-carboxylate?
(4-methyl-1,3-thiazol-2-yl)methyl 5,6-dichloro-2-methylpyridine-3-carboxylate has a molecular weight of 317.20 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-1,3-thiazol-2-yl)methyl 5,6-dichloro-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 166404542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).