2-[[5-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-(1-hydroxypropan-2-yl)benzamide

C23H24FN5O3S — CID 87159360

IUPAC2-[[5-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-(1-hydroxypropan-2-yl)benzamide
SMILESCC(CO)NC(=O)c1ccccc1NC(=O)Nc1nc2c(s1)CN(c1cccc(F)c1)CC2
InChIInChI=1S/C23H24FN5O3S/c1-14(13-30)25-21(31)17-7-2-3-8-18(17)26-22(32)28-23-27-19-9-10-29(12-20(19)33-23)16-6-4-5-15(24)11-16/h2-8,11,14,30H,9-10,12-13H2,1H3,(H,25,31)(H2,26,27,28,32)
InChIKeyYEVSBSKFXOMHEU-UHFFFAOYSA-N
MW469.54 g/mol
LogP3.60
Rot. Bonds6

About 2-[[5-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-(1-hydroxypropan-2-yl)benzamide

2-[[5-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-(1-hydroxypropan-2-yl)benzamide (PubChem CID 87159360) has the molecular formula C23H24FN5O3S and a molecular weight of 469.54 g/mol. Its IUPAC name is 2-[[5-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-(1-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound Name2-[[5-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-(1-hydroxypropan-2-yl)benzamide
PubChem CID87159360
Molecular FormulaC23H24FN5O3S
Molecular Weight469.54 g/mol
Exact Mass469.16
IUPAC Name2-[[5-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-(1-hydroxypropan-2-yl)benzamide
SMILESCC(CO)NC(=O)c1ccccc1NC(=O)Nc1nc2c(s1)CN(c1cccc(F)c1)CC2
InChIInChI=1S/C23H24FN5O3S/c1-14(13-30)25-21(31)17-7-2-3-8-18(17)26-22(32)28-23-27-19-9-10-29(12-20(19)33-23)16-6-4-5-15(24)11-16/h2-8,11,14,30H,9-10,12-13H2,1H3,(H,25,31)(H2,26,27,28,32)
InChIKeyYEVSBSKFXOMHEU-UHFFFAOYSA-N
XLogP3.60
TPSA106.59 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 53.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[5-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-(1-hydroxypropan-2-yl)benzamide with MolForge

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Related Compounds

2-[[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-[(2S)-1-hydroxypropan-2-yl]benzamide
CID 87159278
2-[[5-(2-oxo-1H-pyridin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-propan-2-ylbenzamide
CID 87074227
2-[[5-(3,5-dimethoxyphenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-propan-2-ylbenzamide
CID 87074288
N-propan-2-yl-2-[[5-[5-(trifluoromethyl)-3-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]benzamide
CID 87159248
N-propan-2-yl-2-[[5-(pyridine-4-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]benzamide
CID 58441195
1-(2-fluorophenyl)-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 108866854
1-(2-acetylphenyl)-3-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 87159321
2-[[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-piperidin-4-ylbenzamide
CID 87159118
2-[[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-(2-isocyanopropan-2-yl)benzamide
CID 87159065
2-[1-[[5-[6-amino-5-(1,1-difluoroethyl)-3-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]amino]ethylamino]-N-propan-2-ylbenzamide
CID 162561996
2-fluoro-N-[5-(3-methylbutanoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]benzamide
CID 108749742
3-[[5-(5,6-dimethoxy-3-pyridinyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-ethylpyridine-4-carboxamide
CID 87159355

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-(1-hydroxypropan-2-yl)benzamide?
The IUPAC name of 2-[[5-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-(1-hydroxypropan-2-yl)benzamide (CID 87159360) is 2-[[5-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-(1-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for 2-[[5-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-(1-hydroxypropan-2-yl)benzamide?
The canonical SMILES for 2-[[5-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-(1-hydroxypropan-2-yl)benzamide is CC(CO)NC(=O)c1ccccc1NC(=O)Nc1nc2c(s1)CN(c1cccc(F)c1)CC2.
What is the InChIKey of 2-[[5-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-(1-hydroxypropan-2-yl)benzamide?
The InChIKey is YEVSBSKFXOMHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O3S/c1-14(13-30)25-21(31)17-7-2-3-8-18(17)26-22(32)28-23-27-19-9-10-29(12-20(19)33-23)16-6-4-5-15(24)11-16/h2-8,11,14,30H,9-10,12-13H2,1H3,(H,25,31)(H2,26,27,28,32).
What are the key properties of 2-[[5-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-(1-hydroxypropan-2-yl)benzamide?
2-[[5-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-(1-hydroxypropan-2-yl)benzamide has a molecular weight of 469.54 g/mol, XLogP of 3.60, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-fluorophenyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-(1-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 87159360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).