N-(5-fluoro-2-pyridinyl)-2-[(1S)-3-methyl-1-[[(2S)-oxolane-2-carbonyl]amino]butyl]-1,3-thiazole-4-carboxamide

C19H23FN4O3S — CID 171911506

IUPACN-(5-fluoro-2-pyridinyl)-2-[(1S)-3-methyl-1-[[(2S)-oxolane-2-carbonyl]amino]butyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@@H]1CCCO1)c1nc(C(=O)Nc2ccc(F)cn2)cs1
InChIInChI=1S/C19H23FN4O3S/c1-11(2)8-13(22-18(26)15-4-3-7-27-15)19-23-14(10-28-19)17(25)24-16-6-5-12(20)9-21-16/h5-6,9-11,13,15H,3-4,7-8H2,1-2H3,(H,22,26)(H,21,24,25)/t13-,15-/m0/s1
InChIKeyXIFJCTBOGJPORY-ZFWWWQNUSA-N
MW406.48 g/mol
LogP3.31
Rot. Bonds7

About N-(5-fluoro-2-pyridinyl)-2-[(1S)-3-methyl-1-[[(2S)-oxolane-2-carbonyl]amino]butyl]-1,3-thiazole-4-carboxamide

N-(5-fluoro-2-pyridinyl)-2-[(1S)-3-methyl-1-[[(2S)-oxolane-2-carbonyl]amino]butyl]-1,3-thiazole-4-carboxamide (PubChem CID 171911506) has the molecular formula C19H23FN4O3S and a molecular weight of 406.48 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-2-[(1S)-3-methyl-1-[[(2S)-oxolane-2-carbonyl]amino]butyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-2-[(1S)-3-methyl-1-[[(2S)-oxolane-2-carbonyl]amino]butyl]-1,3-thiazole-4-carboxamide
PubChem CID171911506
Molecular FormulaC19H23FN4O3S
Molecular Weight406.48 g/mol
Exact Mass406.15
IUPAC NameN-(5-fluoro-2-pyridinyl)-2-[(1S)-3-methyl-1-[[(2S)-oxolane-2-carbonyl]amino]butyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)C[C@H](NC(=O)[C@@H]1CCCO1)c1nc(C(=O)Nc2ccc(F)cn2)cs1
InChIInChI=1S/C19H23FN4O3S/c1-11(2)8-13(22-18(26)15-4-3-7-27-15)19-23-14(10-28-19)17(25)24-16-6-5-12(20)9-21-16/h5-6,9-11,13,15H,3-4,7-8H2,1-2H3,(H,22,26)(H,21,24,25)/t13-,15-/m0/s1
InChIKeyXIFJCTBOGJPORY-ZFWWWQNUSA-N
XLogP3.31
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.48
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-fluoropyridine-2-carboxamide
CID 118435412
N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-fluoro-3-methylpyridine-2-carboxamide
CID 118435617
oxolan-2-yl-[(1S,5R)-6-[[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 49862290
N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-3,5-difluoropyridine-2-carboxamide
CID 118435529
Preparation of 4-methyl-1-((2-(piperidin-1-yl)thiazol-4-yl)methyl)-N-(tetrahydro-2H-pyran-3-yl)-1H-pyrrole-2-carboxamide
CID 142463653
US9617282, Example 82
CID 118636241
US9617282, Example 83
CID 118636242
US9617282, Example 105
CID 118636317
2-acetamido-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 40158852
2-acetamido-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-1,3-thiazole-4-carboxamide
CID 45895497
US9617282, Example 80
CID 118636239
US9617282, Example 88
CID 118636247

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-2-[(1S)-3-methyl-1-[[(2S)-oxolane-2-carbonyl]amino]butyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-2-[(1S)-3-methyl-1-[[(2S)-oxolane-2-carbonyl]amino]butyl]-1,3-thiazole-4-carboxamide (CID 171911506) is N-(5-fluoro-2-pyridinyl)-2-[(1S)-3-methyl-1-[[(2S)-oxolane-2-carbonyl]amino]butyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-2-[(1S)-3-methyl-1-[[(2S)-oxolane-2-carbonyl]amino]butyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-2-[(1S)-3-methyl-1-[[(2S)-oxolane-2-carbonyl]amino]butyl]-1,3-thiazole-4-carboxamide is CC(C)C[C@H](NC(=O)[C@@H]1CCCO1)c1nc(C(=O)Nc2ccc(F)cn2)cs1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-2-[(1S)-3-methyl-1-[[(2S)-oxolane-2-carbonyl]amino]butyl]-1,3-thiazole-4-carboxamide?
The InChIKey is XIFJCTBOGJPORY-ZFWWWQNUSA-N. The full InChI is InChI=1S/C19H23FN4O3S/c1-11(2)8-13(22-18(26)15-4-3-7-27-15)19-23-14(10-28-19)17(25)24-16-6-5-12(20)9-21-16/h5-6,9-11,13,15H,3-4,7-8H2,1-2H3,(H,22,26)(H,21,24,25)/t13-,15-/m0/s1.
What are the key properties of N-(5-fluoro-2-pyridinyl)-2-[(1S)-3-methyl-1-[[(2S)-oxolane-2-carbonyl]amino]butyl]-1,3-thiazole-4-carboxamide?
N-(5-fluoro-2-pyridinyl)-2-[(1S)-3-methyl-1-[[(2S)-oxolane-2-carbonyl]amino]butyl]-1,3-thiazole-4-carboxamide has a molecular weight of 406.48 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-2-[(1S)-3-methyl-1-[[(2S)-oxolane-2-carbonyl]amino]butyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 171911506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).