N-[4-(5-methyl-2-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide

C24H25N5O2S2 — CID 118618327

IUPACN-[4-(5-methyl-2-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCc1ccc(-c2ccc(NC(=O)c3cc4sc(NCCN5CCOCC5)nc4s3)cc2)nc1
InChIInChI=1S/C24H25N5O2S2/c1-16-2-7-19(26-15-16)17-3-5-18(6-4-17)27-22(30)20-14-21-23(32-20)28-24(33-21)25-8-9-29-10-12-31-13-11-29/h2-7,14-15H,8-13H2,1H3,(H,25,28)(H,27,30)
InChIKeyBFHXKCYZGXAARE-UHFFFAOYSA-N
MW479.63 g/mol
LogP4.72
Rot. Bonds7

About N-[4-(5-methyl-2-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide

N-[4-(5-methyl-2-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 118618327) has the molecular formula C24H25N5O2S2 and a molecular weight of 479.63 g/mol. Its IUPAC name is N-[4-(5-methyl-2-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(5-methyl-2-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID118618327
Molecular FormulaC24H25N5O2S2
Molecular Weight479.63 g/mol
Exact Mass479.14
IUPAC NameN-[4-(5-methyl-2-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCc1ccc(-c2ccc(NC(=O)c3cc4sc(NCCN5CCOCC5)nc4s3)cc2)nc1
InChIInChI=1S/C24H25N5O2S2/c1-16-2-7-19(26-15-16)17-3-5-18(6-4-17)27-22(30)20-14-21-23(32-20)28-24(33-21)25-8-9-29-10-12-31-13-11-29/h2-7,14-15H,8-13H2,1H3,(H,25,28)(H,27,30)
InChIKeyBFHXKCYZGXAARE-UHFFFAOYSA-N
XLogP4.72
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.63
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Srt-2104
CID 25108829
N-(2-Aminoethyl)-5-(2-{[4-(Morpholin-4-Yl)pyridin-2-Yl]amino}-1,3-Thiazol-5-Yl)pyridine-3-Carboxamide
CID 15980109
N-[2-(methylamino)ethyl]-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 15980347
4-Methyl-2-phenyl-thiazole-5-carboxylic acid (6-morpholin-4-yl-pyridin-3-yl)-amide
CID 36145850
N-[[3-[(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamoyl]phenyl]methyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 56599751
N-(6-ethyl-1,3-benzothiazol-2-yl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 4783607
2-N-(2-aminophenyl)-5-N-[4-methyl-3-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]thiophene-2,5-dicarboxamide
CID 44572539
N-(4-(4-(4-fluorophenyl)-1-(2-methoxyethyl)-2-(methylthio)-1H-imidazol-5-yl)pyridin-2-yl)thiophene-2-carboxamide
CID 52948905
N-(5-methylthiophen-2-yl)-5-[2-[(4-morpholin-4-yl-2-pyridinyl)amino]-1,3-thiazol-5-yl]pyridine-3-carboxamide
CID 70681104
4-[(5-methylthiazol-2-yl)amino]-N-[[4-(4-phenylthiazol-2-yl)tetrahydropyran-4-yl]methyl]benzamide
CID 127033254
[6-[[4-(2,4-Dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-3-pyridinyl]-(3-oxa-7,9-diazabicyclo[3.3.1]nonan-9-yl)methanone
CID 134145916
Methyl 9-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridine-3-carbonyl]-3,9-diazabicyclo[3.3.1]nonane-3-carboxylate
CID 134156905

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methyl-2-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[4-(5-methyl-2-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 118618327) is N-[4-(5-methyl-2-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(5-methyl-2-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[4-(5-methyl-2-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide is Cc1ccc(-c2ccc(NC(=O)c3cc4sc(NCCN5CCOCC5)nc4s3)cc2)nc1.
What is the InChIKey of N-[4-(5-methyl-2-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is BFHXKCYZGXAARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2S2/c1-16-2-7-19(26-15-16)17-3-5-18(6-4-17)27-22(30)20-14-21-23(32-20)28-24(33-21)25-8-9-29-10-12-31-13-11-29/h2-7,14-15H,8-13H2,1H3,(H,25,28)(H,27,30).
What are the key properties of N-[4-(5-methyl-2-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
N-[4-(5-methyl-2-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 479.63 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methyl-2-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118618327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).