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

C19H19FN4O3S — CID 53199979

IUPACN-[(2,5-dimethoxyphenyl)methyl]-2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2sc(Nc3ccc(F)cn3)nc2C)c1
InChIInChI=1S/C19H19FN4O3S/c1-11-17(28-19(23-11)24-16-7-4-13(20)10-21-16)18(25)22-9-12-8-14(26-2)5-6-15(12)27-3/h4-8,10H,9H2,1-3H3,(H,22,25)(H,21,23,24)
InChIKeyRWOBNCOVUCFKFO-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.68
Rot. Bonds7

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

N-[(2,5-dimethoxyphenyl)methyl]-2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 53199979) has the molecular formula C19H19FN4O3S and a molecular weight of 402.45 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID53199979
Molecular FormulaC19H19FN4O3S
Molecular Weight402.45 g/mol
Exact Mass402.12
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2sc(Nc3ccc(F)cn3)nc2C)c1
InChIInChI=1S/C19H19FN4O3S/c1-11-17(28-19(23-11)24-16-7-4-13(20)10-21-16)18(25)22-9-12-8-14(26-2)5-6-15(12)27-3/h4-8,10H,9H2,1-3H3,(H,22,25)(H,21,23,24)
InChIKeyRWOBNCOVUCFKFO-UHFFFAOYSA-N
XLogP3.68
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 53199971
N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16944961
5-acetamido-N-[(2,5-dimethoxyphenyl)methyl]-2-methylpyridine-3-carboxamide
CID 155955161
2-[(5-chloro-2-pyridinyl)amino]-N-[(4-ethoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 53365271
N-[(4-chlorophenyl)methyl]-2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 53365283
N-[(2,5-dimethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide
CID 46347301
2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 95113696
N-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 26734258
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
N-[(2-bromo-5-fluorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55900094
4-amino-N-[(2,5-dimethoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 61113758
N-[(5-fluoro-2-methoxyphenyl)methyl]-3,5-dimethoxybenzamide
CID 110780162

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxamide (CID 53199979) is N-[(2,5-dimethoxyphenyl)methyl]-2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxamide is COc1ccc(OC)c(CNC(=O)c2sc(Nc3ccc(F)cn3)nc2C)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is RWOBNCOVUCFKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3S/c1-11-17(28-19(23-11)24-16-7-4-13(20)10-21-16)18(25)22-9-12-8-14(26-2)5-6-15(12)27-3/h4-8,10H,9H2,1-3H3,(H,22,25)(H,21,23,24).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxamide?
N-[(2,5-dimethoxyphenyl)methyl]-2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53199979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).