6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone

C24H26N8OS2 — CID 154653764

IUPAC6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone
SMILESCSc1cnc(N[C@H]2CC[C@H](Nc3nc4ccc(C(=O)N5CCn6ccnc6C5)cc4s3)C2)nc1
InChIInChI=1S/C24H26N8OS2/c1-34-18-12-26-23(27-13-18)28-16-3-4-17(11-16)29-24-30-19-5-2-15(10-20(19)35-24)22(33)32-9-8-31-7-6-25-21(31)14-32/h2,5-7,10,12-13,16-17H,3-4,8-9,11,14H2,1H3,(H,29,30)(H,26,27,28)/t16-,17-/m0/s1
InChIKeyFBTNHDDZSDZHNT-IRXDYDNUSA-N
MW506.66 g/mol
LogP4.11
Rot. Bonds6

About 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone

6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone (PubChem CID 154653764) has the molecular formula C24H26N8OS2 and a molecular weight of 506.66 g/mol. Its IUPAC name is 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone.

Molecular Properties

Compound Name6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone
PubChem CID154653764
Molecular FormulaC24H26N8OS2
Molecular Weight506.66 g/mol
Exact Mass506.17
IUPAC Name6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone
SMILESCSc1cnc(N[C@H]2CC[C@H](Nc3nc4ccc(C(=O)N5CCn6ccnc6C5)cc4s3)C2)nc1
InChIInChI=1S/C24H26N8OS2/c1-34-18-12-26-23(27-13-18)28-16-3-4-17(11-16)29-24-30-19-5-2-15(10-20(19)35-24)22(33)32-9-8-31-7-6-25-21(31)14-32/h2,5-7,10,12-13,16-17H,3-4,8-9,11,14H2,1H3,(H,29,30)(H,26,27,28)/t16-,17-/m0/s1
InChIKeyFBTNHDDZSDZHNT-IRXDYDNUSA-N
XLogP4.11
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.66
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone?
The IUPAC name of 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone (CID 154653764) is 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone.
What is the SMILES notation for 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone?
The canonical SMILES for 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone is CSc1cnc(N[C@H]2CC[C@H](Nc3nc4ccc(C(=O)N5CCn6ccnc6C5)cc4s3)C2)nc1.
What is the InChIKey of 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone?
The InChIKey is FBTNHDDZSDZHNT-IRXDYDNUSA-N. The full InChI is InChI=1S/C24H26N8OS2/c1-34-18-12-26-23(27-13-18)28-16-3-4-17(11-16)29-24-30-19-5-2-15(10-20(19)35-24)22(33)32-9-8-31-7-6-25-21(31)14-32/h2,5-7,10,12-13,16-17H,3-4,8-9,11,14H2,1H3,(H,29,30)(H,26,27,28)/t16-,17-/m0/s1.
What are the key properties of 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone?
6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone has a molecular weight of 506.66 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone is sourced from PubChem (CID 154653764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).