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

C22H24N6O3S — CID 87074227

IUPAC2-[[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
SMILESCC(C)NC(=O)c1ccccc1NC(=O)Nc1nc2c(s1)CN(c1cc[nH]c(=O)c1)CC2
InChIInChI=1S/C22H24N6O3S/c1-13(2)24-20(30)15-5-3-4-6-16(15)25-21(31)27-22-26-17-8-10-28(12-18(17)32-22)14-7-9-23-19(29)11-14/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,23,29)(H,24,30)(H2,25,26,27,31)
InChIKeyBHQOISYLHLFCTR-UHFFFAOYSA-N
MW452.54 g/mol
LogP3.18
Rot. Bonds5

About 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

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 (PubChem CID 87074227) has the molecular formula C22H24N6O3S and a molecular weight of 452.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[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
PubChem CID87074227
Molecular FormulaC22H24N6O3S
Molecular Weight452.54 g/mol
Exact Mass452.16
IUPAC Name2-[[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
SMILESCC(C)NC(=O)c1ccccc1NC(=O)Nc1nc2c(s1)CN(c1cc[nH]c(=O)c1)CC2
InChIInChI=1S/C22H24N6O3S/c1-13(2)24-20(30)15-5-3-4-6-16(15)25-21(31)27-22-26-17-8-10-28(12-18(17)32-22)14-7-9-23-19(29)11-14/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,23,29)(H,24,30)(H2,25,26,27,31)
InChIKeyBHQOISYLHLFCTR-UHFFFAOYSA-N
XLogP3.18
TPSA119.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 53.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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
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
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-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-(2-isocyanopropan-2-yl)benzamide
CID 87159065
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-[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-[[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamoylamino]-N-(oxan-3-yl)benzamide
CID 87159341
1-(2-fluorophenyl)-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 108866854
1-[5-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea
CID 90530083

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)NC(=O)c1ccccc1NC(=O)Nc1nc2c(s1)CN(c1cc[nH]c(=O)c1)CC2.
What is the InChIKey of 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?
The InChIKey is BHQOISYLHLFCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3S/c1-13(2)24-20(30)15-5-3-4-6-16(15)25-21(31)27-22-26-17-8-10-28(12-18(17)32-22)14-7-9-23-19(29)11-14/h3-7,9,11,13H,8,10,12H2,1-2H3,(H,23,29)(H,24,30)(H2,25,26,27,31).
What are the key properties of 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?
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 has a molecular weight of 452.54 g/mol, XLogP of 3.18, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 87074227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).