(2,4-dimethyl-1,3-thiazol-5-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

C18H18N4OS — CID 124992459

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCc1nc(C)c(C(=O)N2Cc3nccn3C[C@@H]2c2ccccc2)s1
InChIInChI=1S/C18H18N4OS/c1-12-17(24-13(2)20-12)18(23)22-11-16-19-8-9-21(16)10-15(22)14-6-4-3-5-7-14/h3-9,15H,10-11H2,1-2H3/t15-/m1/s1
InChIKeyPQRQWTCFJYFZFD-OAHLLOKOSA-N
MW338.44 g/mol
LogP3.35
Rot. Bonds2

About (2,4-dimethyl-1,3-thiazol-5-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

(2,4-dimethyl-1,3-thiazol-5-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (PubChem CID 124992459) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
PubChem CID124992459
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCc1nc(C)c(C(=O)N2Cc3nccn3C[C@@H]2c2ccccc2)s1
InChIInChI=1S/C18H18N4OS/c1-12-17(24-13(2)20-12)18(23)22-11-16-19-8-9-21(16)10-15(22)14-6-4-3-5-7-14/h3-9,15H,10-11H2,1-2H3/t15-/m1/s1
InChIKeyPQRQWTCFJYFZFD-OAHLLOKOSA-N
XLogP3.35
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (CID 124992459) is (2,4-dimethyl-1,3-thiazol-5-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is Cc1nc(C)c(C(=O)N2Cc3nccn3C[C@@H]2c2ccccc2)s1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The InChIKey is PQRQWTCFJYFZFD-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-12-17(24-13(2)20-12)18(23)22-11-16-19-8-9-21(16)10-15(22)14-6-4-3-5-7-14/h3-9,15H,10-11H2,1-2H3/t15-/m1/s1.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
(2,4-dimethyl-1,3-thiazol-5-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone has a molecular weight of 338.44 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)-[(6S)-6-phenyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 124992459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).