2,6-dichloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide

C12H11Cl2N3OS — CID 60786100

IUPAC2,6-dichloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
SMILESCCc1nc(NC(=O)c2cc(Cl)nc(Cl)c2)sc1C
InChIInChI=1S/C12H11Cl2N3OS/c1-3-8-6(2)19-12(15-8)17-11(18)7-4-9(13)16-10(14)5-7/h4-5H,3H2,1-2H3,(H,15,17,18)
InChIKeyHAUVXBBTBOLQFV-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.97
Rot. Bonds3

About 2,6-dichloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide

2,6-dichloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide (PubChem CID 60786100) has the molecular formula C12H11Cl2N3OS and a molecular weight of 316.21 g/mol. Its IUPAC name is 2,6-dichloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
PubChem CID60786100
Molecular FormulaC12H11Cl2N3OS
Molecular Weight316.21 g/mol
Exact Mass315.00
IUPAC Name2,6-dichloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
SMILESCCc1nc(NC(=O)c2cc(Cl)nc(Cl)c2)sc1C
InChIInChI=1S/C12H11Cl2N3OS/c1-3-8-6(2)19-12(15-8)17-11(18)7-4-9(13)16-10(14)5-7/h4-5H,3H2,1-2H3,(H,15,17,18)
InChIKeyHAUVXBBTBOLQFV-UHFFFAOYSA-N
XLogP3.97
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-hydroxy-3-methylbenzamide
CID 103951800
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-methyl-1,3-thiazole-4-carboxamide
CID 47444190
4-carbamothioyl-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide
CID 61477386
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-4-fluorobenzamide
CID 61471873
4-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-iodobenzamide
CID 47047644
N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2,3-dihydroxybenzamide
CID 114344083
3-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 66484720
5-chloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-2-hydrazinylbenzamide
CID 62244060
tert-butyl N-[3-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)carbamoyl]phenyl]carbamate
CID 55734255
2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-hydrazinylpyridine-4-carboxamide
CID 62241867
3-amino-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 64524874
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)benzamide
CID 47047630

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide (CID 60786100) is 2,6-dichloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide is CCc1nc(NC(=O)c2cc(Cl)nc(Cl)c2)sc1C.
What is the InChIKey of 2,6-dichloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
The InChIKey is HAUVXBBTBOLQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3OS/c1-3-8-6(2)19-12(15-8)17-11(18)7-4-9(13)16-10(14)5-7/h4-5H,3H2,1-2H3,(H,15,17,18).
What are the key properties of 2,6-dichloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
2,6-dichloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide has a molecular weight of 316.21 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 60786100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).