N-[4-(6-methoxy-3-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide

C24H25N5O3S2 — CID 118618334

IUPACN-[4-(6-methoxy-3-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCOc1ccc(-c2ccc(NC(=O)c3cc4sc(NCCN5CCOCC5)nc4s3)cc2)cn1
InChIInChI=1S/C24H25N5O3S2/c1-31-21-7-4-17(15-26-21)16-2-5-18(6-3-16)27-22(30)19-14-20-23(33-19)28-24(34-20)25-8-9-29-10-12-32-13-11-29/h2-7,14-15H,8-13H2,1H3,(H,25,28)(H,27,30)
InChIKeyTTYQEQYWXXCDTG-UHFFFAOYSA-N
MW495.63 g/mol
LogP4.42
Rot. Bonds8

About N-[4-(6-methoxy-3-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide

N-[4-(6-methoxy-3-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide (PubChem CID 118618334) has the molecular formula C24H25N5O3S2 and a molecular weight of 495.63 g/mol. Its IUPAC name is N-[4-(6-methoxy-3-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(6-methoxy-3-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
PubChem CID118618334
Molecular FormulaC24H25N5O3S2
Molecular Weight495.63 g/mol
Exact Mass495.14
IUPAC NameN-[4-(6-methoxy-3-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide
SMILESCOc1ccc(-c2ccc(NC(=O)c3cc4sc(NCCN5CCOCC5)nc4s3)cc2)cn1
InChIInChI=1S/C24H25N5O3S2/c1-31-21-7-4-17(15-26-21)16-2-5-18(6-3-16)27-22(30)19-14-20-23(33-19)28-24(34-20)25-8-9-29-10-12-32-13-11-29/h2-7,14-15H,8-13H2,1H3,(H,25,28)(H,27,30)
InChIKeyTTYQEQYWXXCDTG-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

Analyze N-[4-(6-methoxy-3-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methoxy-3-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The IUPAC name of N-[4-(6-methoxy-3-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide (CID 118618334) is N-[4-(6-methoxy-3-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide.
What is the SMILES notation for N-[4-(6-methoxy-3-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The canonical SMILES for N-[4-(6-methoxy-3-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)cn1.
What is the InChIKey of N-[4-(6-methoxy-3-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
The InChIKey is TTYQEQYWXXCDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S2/c1-31-21-7-4-17(15-26-21)16-2-5-18(6-3-16)27-22(30)19-14-20-23(33-19)28-24(34-20)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-(6-methoxy-3-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide?
N-[4-(6-methoxy-3-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-(6-methoxy-3-pyridinyl)phenyl]-2-(2-morpholin-4-ylethylamino)thieno[2,3-d][1,3]thiazole-5-carboxamide is sourced from PubChem (CID 118618334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).