(8aS)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

C12H15N3O2S — CID 97185360

IUPAC(8aS)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESCc1nc(CN2C(=O)[C@@H]3CCCCN3C2=O)cs1
InChIInChI=1S/C12H15N3O2S/c1-8-13-9(7-18-8)6-15-11(16)10-4-2-3-5-14(10)12(15)17/h7,10H,2-6H2,1H3/t10-/m0/s1
InChIKeyPPINPPMPKSKAIK-JTQLQIEISA-N
MW265.34 g/mol
LogP1.77
Rot. Bonds2

About (8aS)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione

(8aS)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (PubChem CID 97185360) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is (8aS)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.

Molecular Properties

Compound Name(8aS)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
PubChem CID97185360
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name(8aS)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
SMILESCc1nc(CN2C(=O)[C@@H]3CCCCN3C2=O)cs1
InChIInChI=1S/C12H15N3O2S/c1-8-13-9(7-18-8)6-15-11(16)10-4-2-3-5-14(10)12(15)17/h7,10H,2-6H2,1H3/t10-/m0/s1
InChIKeyPPINPPMPKSKAIK-JTQLQIEISA-N
XLogP1.77
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 71925044
(8aS)-2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 97185358
3-[(1S)-1-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 164629962
2-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 154738187
2-[(2-Methyl-1,3-thiazol-4-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 47015573
1-Cyclopentyl-3-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4,5-trione
CID 47059744
1-[(2-Tert-butyl-1,3-thiazol-4-yl)methyl]-3-cyclopentylimidazolidine-2,4,5-trione
CID 47066496
1-Cyclopentyl-3-[(2-ethyl-1,3-thiazol-4-yl)methyl]imidazolidine-2,4,5-trione
CID 47077517
2-[(2-Butyl-1,3-thiazol-4-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 47077520
2-[(2-Ethyl-1,3-thiazol-4-yl)methyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 47146176
3-(2,5-dioxoimidazolidin-4-yl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 47453428
1-[(2S)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 53505550

Frequently Asked Questions

What is the IUPAC name of (8aS)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The IUPAC name of (8aS)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione (CID 97185360) is (8aS)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione.
What is the SMILES notation for (8aS)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The canonical SMILES for (8aS)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is Cc1nc(CN2C(=O)[C@@H]3CCCCN3C2=O)cs1.
What is the InChIKey of (8aS)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
The InChIKey is PPINPPMPKSKAIK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-8-13-9(7-18-8)6-15-11(16)10-4-2-3-5-14(10)12(15)17/h7,10H,2-6H2,1H3/t10-/m0/s1.
What are the key properties of (8aS)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione?
(8aS)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione has a molecular weight of 265.34 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8aS)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione is sourced from PubChem (CID 97185360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).