2-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-1,3-thiazole-5-carboxamide

C20H19N7O2S — CID 57400977

IUPAC2-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)s1
InChIInChI=1S/C20H19N7O2S/c21-17(28)16-12-24-20(30-16)15-11-23-18(19-22-5-6-27(15)19)25-13-1-3-14(4-2-13)26-7-9-29-10-8-26/h1-6,11-12H,7-10H2,(H2,21,28)(H,23,25)
InChIKeyFDNGEFYYIKFSHM-UHFFFAOYSA-N
MW421.49 g/mol
LogP2.53
Rot. Bonds5

About 2-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-1,3-thiazole-5-carboxamide

2-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-1,3-thiazole-5-carboxamide (PubChem CID 57400977) has the molecular formula C20H19N7O2S and a molecular weight of 421.49 g/mol. Its IUPAC name is 2-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-1,3-thiazole-5-carboxamide
PubChem CID57400977
Molecular FormulaC20H19N7O2S
Molecular Weight421.49 g/mol
Exact Mass421.13
IUPAC Name2-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1cnc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)s1
InChIInChI=1S/C20H19N7O2S/c21-17(28)16-12-24-20(30-16)15-11-23-18(19-22-5-6-27(15)19)25-13-1-3-14(4-2-13)26-7-9-29-10-8-26/h1-6,11-12H,7-10H2,(H2,21,28)(H,23,25)
InChIKeyFDNGEFYYIKFSHM-UHFFFAOYSA-N
XLogP2.53
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-1,3-thiazole-5-carboxamide (CID 57400977) is 2-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-1,3-thiazole-5-carboxamide is NC(=O)c1cnc(-c2cnc(Nc3ccc(N4CCOCC4)cc3)c3nccn23)s1.
What is the InChIKey of 2-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is FDNGEFYYIKFSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2S/c21-17(28)16-12-24-20(30-16)15-11-23-18(19-22-5-6-27(15)19)25-13-1-3-14(4-2-13)26-7-9-29-10-8-26/h1-6,11-12H,7-10H2,(H2,21,28)(H,23,25).
What are the key properties of 2-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-1,3-thiazole-5-carboxamide?
2-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 421.49 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-5-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 57400977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).