2-methyl-2-(2-morpholin-4-yl-5H-chromeno[2,3-b]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide

C22H23N5O3S — CID 24952562

IUPAC2-methyl-2-(2-morpholin-4-yl-5H-chromeno[2,3-b]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nc1nncs1)C1c2ccccc2Oc2nc(N3CCOCC3)ccc21
InChIInChI=1S/C22H23N5O3S/c1-22(2,20(28)25-21-26-23-13-31-21)18-14-5-3-4-6-16(14)30-19-15(18)7-8-17(24-19)27-9-11-29-12-10-27/h3-8,13,18H,9-12H2,1-2H3,(H,25,26,28)
InChIKeyJNPYZNAOSFCDHU-UHFFFAOYSA-N
MW437.53 g/mol
LogP3.67
Rot. Bonds4

About 2-methyl-2-(2-morpholin-4-yl-5H-chromeno[2,3-b]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide

2-methyl-2-(2-morpholin-4-yl-5H-chromeno[2,3-b]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 24952562) has the molecular formula C22H23N5O3S and a molecular weight of 437.53 g/mol. Its IUPAC name is 2-methyl-2-(2-morpholin-4-yl-5H-chromeno[2,3-b]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-methyl-2-(2-morpholin-4-yl-5H-chromeno[2,3-b]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
PubChem CID24952562
Molecular FormulaC22H23N5O3S
Molecular Weight437.53 g/mol
Exact Mass437.15
IUPAC Name2-methyl-2-(2-morpholin-4-yl-5H-chromeno[2,3-b]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nc1nncs1)C1c2ccccc2Oc2nc(N3CCOCC3)ccc21
InChIInChI=1S/C22H23N5O3S/c1-22(2,20(28)25-21-26-23-13-31-21)18-14-5-3-4-6-16(14)30-19-15(18)7-8-17(24-19)27-9-11-29-12-10-27/h3-8,13,18H,9-12H2,1-2H3,(H,25,26,28)
InChIKeyJNPYZNAOSFCDHU-UHFFFAOYSA-N
XLogP3.67
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

ethane;2-(3-hydroxy-9H-xanthen-9-yl)-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 143629948
2-methyl-2-[(5R)-2-pyrrolidin-1-yl-5H-chromeno[2,3-b]pyridin-5-yl]propanamide
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2-[3-(1-aminoethenyl)-9H-xanthen-9-yl]-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 89300528
2-[(5S)-2-[4-(4,4-difluoropiperidine-1-carbonyl)-3-fluorophenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,3,4-thiadiazol-2-yl)propanamide;methane
CID 24772865
benzyl-[(9S)-9-[2-methyl-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)propan-2-yl]-9H-xanthen-3-yl]carbamic acid
CID 91398044
N,N-dimethyl-4-[5-[1-(1,3,4-thiadiazol-2-ylcarbamoyl)cyclobutyl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;N-ethyl-N-methyl-4-[(5S)-5-[2-methyl-1-oxo-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;2-methyl-2-[(5S)-2-[4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide;2-methyl-2-[(5S)-2-(4-propan-2-yloxyphenyl)-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide;2-methyl-2-[(5S)-2-[4-(pyrrolidine-1-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-N-(1,2,4-thiadiazol-5-yl)propanamide
CID 159922881
2-morpholin-4-yl-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 136579777
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide
CID 29324285
(2S,3S)-2-methyl-N-(1,3,4-thiadiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 29370840
N,N-dimethyl-4-[(5S)-5-[2-methyl-1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-1-oxopropan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;N-ethyl-2-fluoro-N-methyl-4-[(5S)-5-[2-methyl-1-oxo-1-(1,2,4-thiadiazol-5-ylamino)propan-2-yl]-5H-chromeno[2,3-b]pyridin-2-yl]benzamide;2-[(5S)-2-[3-fluoro-4-(morpholine-4-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide;2-[(5S)-2-[3-fluoro-4-(pyrrolidine-1-carbonyl)phenyl]-5H-chromeno[2,3-b]pyridin-5-yl]-2-methyl-N-(1,2,4-thiadiazol-5-yl)propanamide
CID 159636072
ethyl 2-[[2-(3-methoxy-9H-xanthen-9-yl)-2-methylpropanoyl]amino]-1,3-thiazole-4-carboxylate
CID 24955395
2,2-dimethyl-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 3453475

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(2-morpholin-4-yl-5H-chromeno[2,3-b]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 2-methyl-2-(2-morpholin-4-yl-5H-chromeno[2,3-b]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide (CID 24952562) is 2-methyl-2-(2-morpholin-4-yl-5H-chromeno[2,3-b]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 2-methyl-2-(2-morpholin-4-yl-5H-chromeno[2,3-b]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 2-methyl-2-(2-morpholin-4-yl-5H-chromeno[2,3-b]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide is CC(C)(C(=O)Nc1nncs1)C1c2ccccc2Oc2nc(N3CCOCC3)ccc21.
What is the InChIKey of 2-methyl-2-(2-morpholin-4-yl-5H-chromeno[2,3-b]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is JNPYZNAOSFCDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S/c1-22(2,20(28)25-21-26-23-13-31-21)18-14-5-3-4-6-16(14)30-19-15(18)7-8-17(24-19)27-9-11-29-12-10-27/h3-8,13,18H,9-12H2,1-2H3,(H,25,26,28).
What are the key properties of 2-methyl-2-(2-morpholin-4-yl-5H-chromeno[2,3-b]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide?
2-methyl-2-(2-morpholin-4-yl-5H-chromeno[2,3-b]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 437.53 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(2-morpholin-4-yl-5H-chromeno[2,3-b]pyridin-5-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 24952562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).