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

C24H25N5O3S2 — CID 164705833

IUPACN-[4-(5-methoxy-2-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCOc1ccc(-c2ccc(NC(=O)c3cc4sc(NCCN5CCOCC5)nc4s3)cc2)nc1
InChIInChI=1S/C24H25N5O3S2/c1-31-18-6-7-19(26-15-18)16-2-4-17(5-3-16)27-22(30)20-14-21-23(33-20)28-24(34-21)25-8-9-29-10-12-32-13-11-29/h2-7,14-15H,8-13H2,1H3,(H,25,28)(H,27,30)
InChIKeyHETXOFBCKZJMMA-UHFFFAOYSA-N
MW495.63 g/mol
LogP4.42
Rot. Bonds8

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

N-[4-(5-methoxy-2-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 164705833) has the molecular formula C24H25N5O3S2 and a molecular weight of 495.63 g/mol. Its IUPAC name is N-[4-(5-methoxy-2-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(5-methoxy-2-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID164705833
Molecular FormulaC24H25N5O3S2
Molecular Weight495.63 g/mol
Exact Mass495.14
IUPAC NameN-[4-(5-methoxy-2-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCOc1ccc(-c2ccc(NC(=O)c3cc4sc(NCCN5CCOCC5)nc4s3)cc2)nc1
InChIInChI=1S/C24H25N5O3S2/c1-31-18-6-7-19(26-15-18)16-2-4-17(5-3-16)27-22(30)20-14-21-23(33-20)28-24(34-21)25-8-9-29-10-12-32-13-11-29/h2-7,14-15H,8-13H2,1H3,(H,25,28)(H,27,30)
InChIKeyHETXOFBCKZJMMA-UHFFFAOYSA-N
XLogP4.42
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.63
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N,N-diethyl-6-[[6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-yl]amino]pyridine-2-carboxamide
CID 71456120
N-[4-(5-methyl-2-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618327
N-[4-(5-fluoro-2-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618335
Preparation of N-(chroman-3-yl)-4-methyl-1-((2-(piperidin-1-yl)thiazol-4-yl)methyl)-1H-pyrrole-2-carboxamide
CID 142463575
2-(2-morpholin-4-ylethylamino)-N-[4-[5-(trifluoromethyl)-2-pyridinyl]phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 171347599
2-(2-methoxyanilino)-N-(3-methyl-2-pyridinyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 71895788
4-fluoro-N-[1-[[4-(4-fluorophenyl)-5-pyridin-3-yloxy-1,3-thiazol-2-yl]amino]-2-methyl-1-oxopropan-2-yl]benzamide
CID 57513702
4-fluoro-N-[7-methoxy-4-(tetrahydro-pyran-4-yl)-thiazolo[5,4-c]pyridin-2-yl]-benzamide
CID 86597279
(2S)-N-[5-(4-fluorophenoxy)-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-(pyridine-2-carbonyl)pyrrolidine-2-carboxamide
CID 87395655
N-[4-[4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]-2-morpholin-4-ylthieno[2,3-d][1,3]thiazole-5-carboxamide
CID 118618792
2-[2-(4-chlorophenoxy)ethylamino]-N-[4-(6-fluoro-3-pyridinyl)phenyl]thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 140783690
N-[4-[(1R,2R)-2-(3-fluoro-5-methoxy-2-pyridinyl)cyclopropyl]-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 154695145

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-methoxy-2-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[4-(5-methoxy-2-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 164705833) is N-[4-(5-methoxy-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-methoxy-2-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[4-(5-methoxy-2-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide is COc1ccc(-c2ccc(NC(=O)c3cc4sc(NCCN5CCOCC5)nc4s3)cc2)nc1.
What is the InChIKey of N-[4-(5-methoxy-2-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is HETXOFBCKZJMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S2/c1-31-18-6-7-19(26-15-18)16-2-4-17(5-3-16)27-22(30)20-14-21-23(33-20)28-24(34-21)25-8-9-29-10-12-32-13-11-29/h2-7,14-15H,8-13H2,1H3,(H,25,28)(H,27,30).
What are the key properties of N-[4-(5-methoxy-2-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
N-[4-(5-methoxy-2-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide has a molecular weight of 495.63 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-methoxy-2-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 164705833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).