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

C18H17FN4OS — CID 53200053

IUPACN-[(2-fluorophenyl)methyl]-4-methyl-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(Nc2nc(C)c(C(=O)NCc3ccccc3F)s2)n1
InChIInChI=1S/C18H17FN4OS/c1-11-6-5-9-15(21-11)23-18-22-12(2)16(25-18)17(24)20-10-13-7-3-4-8-14(13)19/h3-9H,10H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyUYBVKYQRSCXWHP-UHFFFAOYSA-N
MW356.43 g/mol
LogP3.97
Rot. Bonds5

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

N-[(2-fluorophenyl)methyl]-4-methyl-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide (PubChem CID 53200053) has the molecular formula C18H17FN4OS and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-methyl-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-methyl-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide
PubChem CID53200053
Molecular FormulaC18H17FN4OS
Molecular Weight356.43 g/mol
Exact Mass356.11
IUPAC NameN-[(2-fluorophenyl)methyl]-4-methyl-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide
SMILESCc1cccc(Nc2nc(C)c(C(=O)NCc3ccccc3F)s2)n1
InChIInChI=1S/C18H17FN4OS/c1-11-6-5-9-15(21-11)23-18-22-12(2)16(25-18)17(24)20-10-13-7-3-4-8-14(13)19/h3-9H,10H2,1-2H3,(H,20,24)(H,21,22,23)
InChIKeyUYBVKYQRSCXWHP-UHFFFAOYSA-N
XLogP3.97
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[(6-methyl-2-pyridinyl)amino]-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 53200058
2-benzyl-N-[(2-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 39084154
N-benzyl-N,4-dimethyl-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide
CID 53200066
2-(2-ethylanilino)-N-(3-fluoro-2-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53152829
2-(2-ethylanilino)-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 53365440
2-[(6-methyl-2-pyridinyl)amino]-N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 90510136
N-[(2,6-difluorophenyl)methyl]-2-[(2-methoxyphenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897958
2-(2-ethylanilino)-N-(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365483
2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 53199971
N-[(4-bromophenyl)methyl]-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365458
4-ethyl-N-[(2-fluorophenyl)methyl]thiadiazole-5-carboxamide
CID 18198095
3-[[N-[(2-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]-N-(6-methyl-2-pyridinyl)propanamide;hydroiodide
CID 111266164

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-methyl-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-methyl-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide (CID 53200053) is N-[(2-fluorophenyl)methyl]-4-methyl-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-methyl-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-methyl-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide is Cc1cccc(Nc2nc(C)c(C(=O)NCc3ccccc3F)s2)n1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-methyl-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide?
The InChIKey is UYBVKYQRSCXWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4OS/c1-11-6-5-9-15(21-11)23-18-22-12(2)16(25-18)17(24)20-10-13-7-3-4-8-14(13)19/h3-9H,10H2,1-2H3,(H,20,24)(H,21,22,23).
What are the key properties of N-[(2-fluorophenyl)methyl]-4-methyl-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide?
N-[(2-fluorophenyl)methyl]-4-methyl-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-methyl-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53200053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).