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

C18H17FN4OS — CID 95113696

IUPAC2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Nc2ccc(F)cn2)sc1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C18H17FN4OS/c1-11(13-6-4-3-5-7-13)21-17(24)16-12(2)22-18(25-16)23-15-9-8-14(19)10-20-15/h3-11H,1-2H3,(H,21,24)(H,20,22,23)/t11-/m1/s1
InChIKeyGXNCQBKHVPXBNE-LLVKDONJSA-N
MW356.43 g/mol
LogP4.22
Rot. Bonds5

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

2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide (PubChem CID 95113696) has the molecular formula C18H17FN4OS and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
PubChem CID95113696
Molecular FormulaC18H17FN4OS
Molecular Weight356.43 g/mol
Exact Mass356.11
IUPAC Name2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(Nc2ccc(F)cn2)sc1C(=O)N[C@H](C)c1ccccc1
InChIInChI=1S/C18H17FN4OS/c1-11(13-6-4-3-5-7-13)21-17(24)16-12(2)22-18(25-16)23-15-9-8-14(19)10-20-15/h3-11H,1-2H3,(H,21,24)(H,20,22,23)/t11-/m1/s1
InChIKeyGXNCQBKHVPXBNE-LLVKDONJSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-(methylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110386327
2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 53199971
4-methyl-2-(phenylcarbamoylamino)-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 16897031
2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 53199996
4-methyl-2-phenyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide
CID 9123977
6-(2,4-difluoroanilino)-N-(1-phenylethyl)pyridine-3-carboxamide
CID 109156252
N-[(2,5-dimethoxyphenyl)methyl]-2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 53199979
2-(2-ethylanilino)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 95394541
2-(methoxymethyl)-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110374805
5-(4-fluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280827
4-methyl-N-phenyl-2-(pyridin-2-ylamino)-1,3-thiazole-5-carboxamide
CID 46512544
4-methyl-2-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-1,3-thiazole-5-carboxamide
CID 39966458

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide (CID 95113696) is 2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide is Cc1nc(Nc2ccc(F)cn2)sc1C(=O)N[C@H](C)c1ccccc1.
What is the InChIKey of 2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is GXNCQBKHVPXBNE-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17FN4OS/c1-11(13-6-4-3-5-7-13)21-17(24)16-12(2)22-18(25-16)23-15-9-8-14(19)10-20-15/h3-11H,1-2H3,(H,21,24)(H,20,22,23)/t11-/m1/s1.
What are the key properties of 2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide?
2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-[(1R)-1-phenylethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 95113696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).