N-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-(3-fluorophenyl)-2-(5-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide

C24H21FN4O3S — CID 118715608

IUPACN-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-(3-fluorophenyl)-2-(5-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2sc(-c3cncc(C)c3)nc2-c2cccc(F)c2)nc1OC
InChIInChI=1S/C24H21FN4O3S/c1-14-9-16(12-26-11-14)24-29-20(15-5-4-6-17(25)10-15)21(33-24)22(30)27-13-18-7-8-19(31-2)23(28-18)32-3/h4-12H,13H2,1-3H3,(H,27,30)
InChIKeyQOVRVPPOUBJAPI-UHFFFAOYSA-N
MW464.52 g/mol
LogP4.66
Rot. Bonds7

About N-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-(3-fluorophenyl)-2-(5-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide

N-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-(3-fluorophenyl)-2-(5-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide (PubChem CID 118715608) has the molecular formula C24H21FN4O3S and a molecular weight of 464.52 g/mol. Its IUPAC name is N-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-(3-fluorophenyl)-2-(5-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-(3-fluorophenyl)-2-(5-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide
PubChem CID118715608
Molecular FormulaC24H21FN4O3S
Molecular Weight464.52 g/mol
Exact Mass464.13
IUPAC NameN-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-(3-fluorophenyl)-2-(5-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(CNC(=O)c2sc(-c3cncc(C)c3)nc2-c2cccc(F)c2)nc1OC
InChIInChI=1S/C24H21FN4O3S/c1-14-9-16(12-26-11-14)24-29-20(15-5-4-6-17(25)10-15)21(33-24)22(30)27-13-18-7-8-19(31-2)23(28-18)32-3/h4-12H,13H2,1-3H3,(H,27,30)
InChIKeyQOVRVPPOUBJAPI-UHFFFAOYSA-N
XLogP4.66
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-(3-fluorophenyl)-2-(5-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

MK-3697
CID 46190695
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(5-methyl-3-pyridinyl)-2-phenylpyridine-3-carboxamide
CID 25225718
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(3-fluorophenyl)-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 45375925
N-[[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-3-carboxamide
CID 10094283
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(2-fluorophenyl)-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 46191662
N-[(5,6-dimethoxypyridin-2-yl)methyl]-6-(5-methylpyridin-3-yl)-3-phenylpyrazine-2-carboxamide
CID 49793266
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5'-methyl-5-(1-pyrrolidinyl)-2,3'-bipyridine-4-carboxamide
CID 58394291
2-(3-Methoxy-4-pyridinyl)-5-[[4-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-1,3-thiazole-4-carboxamide
CID 71060934
N-[1-(3-methoxyphenyl)ethyl]-4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carboxamide
CID 49830710
4-methyl-2-pyridin-4-yl-N-[1-[3-(trideuteriomethoxy)phenyl]ethyl]-1,3-thiazole-5-carboxamide
CID 49830718
[4-[[2-(4-Methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 39984682
3-amino-N-(2,3-difluorobenzyl)-4-methyl-6-(2-pyridylmethoxy)thieno[2,3-b]pyridine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-(3-fluorophenyl)-2-(5-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-(3-fluorophenyl)-2-(5-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide (CID 118715608) is N-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-(3-fluorophenyl)-2-(5-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-(3-fluorophenyl)-2-(5-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-(3-fluorophenyl)-2-(5-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide is COc1ccc(CNC(=O)c2sc(-c3cncc(C)c3)nc2-c2cccc(F)c2)nc1OC.
What is the InChIKey of N-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-(3-fluorophenyl)-2-(5-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide?
The InChIKey is QOVRVPPOUBJAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3S/c1-14-9-16(12-26-11-14)24-29-20(15-5-4-6-17(25)10-15)21(33-24)22(30)27-13-18-7-8-19(31-2)23(28-18)32-3/h4-12H,13H2,1-3H3,(H,27,30).
What are the key properties of N-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-(3-fluorophenyl)-2-(5-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide?
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-(3-fluorophenyl)-2-(5-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide has a molecular weight of 464.52 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,6-dimethoxy-2-pyridinyl)methyl]-4-(3-fluorophenyl)-2-(5-methyl-3-pyridinyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118715608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).