6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione

C13H17N5S2 — CID 79297819

IUPAC6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione
SMILESCc1nc(C)c(C(C)n2c(=S)[nH]c3c(C)nn(C)c32)s1
InChIInChI=1S/C13H17N5S2/c1-6-10-12(17(5)16-6)18(13(19)15-10)8(3)11-7(2)14-9(4)20-11/h8H,1-5H3,(H,15,19)
InChIKeyVIEOPRHEXLZOFM-UHFFFAOYSA-N
MW307.45 g/mol
LogP3.42
Rot. Bonds2

About 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione

6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione (PubChem CID 79297819) has the molecular formula C13H17N5S2 and a molecular weight of 307.45 g/mol. Its IUPAC name is 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione.

Molecular Properties

Compound Name6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione
PubChem CID79297819
Molecular FormulaC13H17N5S2
Molecular Weight307.45 g/mol
Exact Mass307.09
IUPAC Name6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione
SMILESCc1nc(C)c(C(C)n2c(=S)[nH]c3c(C)nn(C)c32)s1
InChIInChI=1S/C13H17N5S2/c1-6-10-12(17(5)16-6)18(13(19)15-10)8(3)11-7(2)14-9(4)20-11/h8H,1-5H3,(H,15,19)
InChIKeyVIEOPRHEXLZOFM-UHFFFAOYSA-N
XLogP3.42
TPSA51.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1-ethyl-3-methyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79283363
1,3-dimethyl-6-(3-methylbutan-2-yl)-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79294770
1,3-dimethyl-6-(1-thiophen-2-ylethyl)-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79294347
6-[1-(2,5-dimethylfuran-3-yl)ethyl]-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79297189
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138510
3-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-fluoro-1H-benzimidazole-2-thione
CID 62378549
methyl 3-(1,3-dimethyl-5-sulfanylidene-4H-imidazo[4,5-d]pyrazol-6-yl)butanoate
CID 114283922
6-(1-cyclopropylbutan-2-yl)-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79297268
6-[4-(furan-2-yl)butan-2-yl]-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79297752
1-ethyl-3-methyl-6-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79305882
1-ethyl-3-methyl-6-(1-thiophen-2-ylethyl)-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79304844
1-ethyl-6-[1-(4-fluorophenyl)ethyl]-3-methyl-4H-imidazo[4,5-d]pyrazole-5-thione
CID 79284503

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione?
The IUPAC name of 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione (CID 79297819) is 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione.
What is the SMILES notation for 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione?
The canonical SMILES for 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione is Cc1nc(C)c(C(C)n2c(=S)[nH]c3c(C)nn(C)c32)s1.
What is the InChIKey of 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione?
The InChIKey is VIEOPRHEXLZOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5S2/c1-6-10-12(17(5)16-6)18(13(19)15-10)8(3)11-7(2)14-9(4)20-11/h8H,1-5H3,(H,15,19).
What are the key properties of 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione?
6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione has a molecular weight of 307.45 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,3-dimethyl-4H-imidazo[4,5-d]pyrazole-5-thione is sourced from PubChem (CID 79297819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).