2-[(2,6-dichloropyridine-4-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

C13H12Cl2N4O2S — CID 142147683

IUPAC2-[(2,6-dichloropyridine-4-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2cc(Cl)nc(Cl)c2)sc1C(=O)N(C)C
InChIInChI=1S/C13H12Cl2N4O2S/c1-6-10(12(21)19(2)3)22-13(16-6)18-11(20)7-4-8(14)17-9(15)5-7/h4-5H,1-3H3,(H,16,18,20)
InChIKeyPPWOJSDSXSEMDZ-UHFFFAOYSA-N
MW359.24 g/mol
LogP3.11
Rot. Bonds3

About 2-[(2,6-dichloropyridine-4-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

2-[(2,6-dichloropyridine-4-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (PubChem CID 142147683) has the molecular formula C13H12Cl2N4O2S and a molecular weight of 359.24 g/mol. Its IUPAC name is 2-[(2,6-dichloropyridine-4-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(2,6-dichloropyridine-4-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
PubChem CID142147683
Molecular FormulaC13H12Cl2N4O2S
Molecular Weight359.24 g/mol
Exact Mass358.01
IUPAC Name2-[(2,6-dichloropyridine-4-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)c2cc(Cl)nc(Cl)c2)sc1C(=O)N(C)C
InChIInChI=1S/C13H12Cl2N4O2S/c1-6-10(12(21)19(2)3)22-13(16-6)18-11(20)7-4-8(14)17-9(15)5-7/h4-5H,1-3H3,(H,16,18,20)
InChIKeyPPWOJSDSXSEMDZ-UHFFFAOYSA-N
XLogP3.11
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.24
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N,2-N-bis[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide
CID 4065247
2-[(5-ethylthiophene-3-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 17250011
N,N,4-trimethyl-2-(pyrazine-2-carbonylamino)-1,3-thiazole-5-carboxamide
CID 4088894
N,N,4-trimethyl-2-[(1-methyltriazole-4-carbonyl)amino]-1,3-thiazole-5-carboxamide
CID 110439852
2-[(2,4-difluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 39735335
2-[(5-chloro-2-nitrobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 3257929
2-[(2-fluorobenzoyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 3285189
N,N,4-trimethyl-2-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonylamino)-1,3-thiazole-5-carboxamide
CID 17250058
2,6-dichloro-N-(4-ethyl-5-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 60786100
N,N,4-trimethyl-2-[[4-[(2-methylanilino)methyl]benzoyl]amino]-1,3-thiazole-5-carboxamide
CID 145489196
2-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-hydrazinylpyridine-4-carboxamide
CID 62241867
2-(benzoylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 843956

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichloropyridine-4-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(2,6-dichloropyridine-4-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (CID 142147683) is 2-[(2,6-dichloropyridine-4-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(2,6-dichloropyridine-4-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(2,6-dichloropyridine-4-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)c2cc(Cl)nc(Cl)c2)sc1C(=O)N(C)C.
What is the InChIKey of 2-[(2,6-dichloropyridine-4-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is PPWOJSDSXSEMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N4O2S/c1-6-10(12(21)19(2)3)22-13(16-6)18-11(20)7-4-8(14)17-9(15)5-7/h4-5H,1-3H3,(H,16,18,20).
What are the key properties of 2-[(2,6-dichloropyridine-4-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
2-[(2,6-dichloropyridine-4-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 359.24 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichloropyridine-4-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 142147683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).