2-ethyl-5,5-dimethyl-7,8-dihydro-6H-[1,3,4]thiadiazolo[3,2-a]benzimidazole

C12H17N3S — CID 107646230

IUPAC2-ethyl-5,5-dimethyl-7,8-dihydro-6H-[1,3,4]thiadiazolo[3,2-a]benzimidazole
SMILESCCc1nn2c3c(nc2s1)C(C)(C)CCC3
InChIInChI=1S/C12H17N3S/c1-4-9-14-15-8-6-5-7-12(2,3)10(8)13-11(15)16-9/h4-7H2,1-3H3
InChIKeyHFWYSJNYJHJDNT-UHFFFAOYSA-N
MW235.36 g/mol
LogP2.97
Rot. Bonds1

About 2-ethyl-5,5-dimethyl-7,8-dihydro-6H-[1,3,4]thiadiazolo[3,2-a]benzimidazole

2-ethyl-5,5-dimethyl-7,8-dihydro-6H-[1,3,4]thiadiazolo[3,2-a]benzimidazole (PubChem CID 107646230) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 2-ethyl-5,5-dimethyl-7,8-dihydro-6H-[1,3,4]thiadiazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name2-ethyl-5,5-dimethyl-7,8-dihydro-6H-[1,3,4]thiadiazolo[3,2-a]benzimidazole
PubChem CID107646230
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name2-ethyl-5,5-dimethyl-7,8-dihydro-6H-[1,3,4]thiadiazolo[3,2-a]benzimidazole
SMILESCCc1nn2c3c(nc2s1)C(C)(C)CCC3
InChIInChI=1S/C12H17N3S/c1-4-9-14-15-8-6-5-7-12(2,3)10(8)13-11(15)16-9/h4-7H2,1-3H3
InChIKeyHFWYSJNYJHJDNT-UHFFFAOYSA-N
XLogP2.97
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-5,11λ6-dithia-2,3,7-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,6-triene 11,11-dioxide
CID 107646427
2-ethyl-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazoline-5-thione
CID 3074721
12-ethyl-5,13-dithia-10,11,15-triazatetracyclo[7.6.0.02,6.010,14]pentadeca-1(9),2(6),3,11,14-pentaene
CID 107646330
5-ethyl-2-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole
CID 106260341
2-ethyl-7-[(2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 135106525
(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl (1R)-2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 7614616
2,4,4-trimethyl-6,7-dihydro-5H-1,3-benzothiazole
CID 130511752
13-ethyl-9,9-dimethyl-8-oxa-14-thia-11,12,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,12,15-hexaene
CID 107646342
2-cyclopentyl-N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]acetamide
CID 53163361
N-[(4,4-dimethyl-6,7-dihydro-5H-1,3-benzothiazol-2-yl)methyl]-2-methylpropan-2-amine
CID 79834756
2-ethyl-[1,3,4]thiadiazolo[2,3-b]quinazolin-5-one
CID 12509206
2-(2-chlorophenyl)-N-[(2-ethyl-6-methylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]acetamide
CID 53163353

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5,5-dimethyl-7,8-dihydro-6H-[1,3,4]thiadiazolo[3,2-a]benzimidazole?
The IUPAC name of 2-ethyl-5,5-dimethyl-7,8-dihydro-6H-[1,3,4]thiadiazolo[3,2-a]benzimidazole (CID 107646230) is 2-ethyl-5,5-dimethyl-7,8-dihydro-6H-[1,3,4]thiadiazolo[3,2-a]benzimidazole.
What is the SMILES notation for 2-ethyl-5,5-dimethyl-7,8-dihydro-6H-[1,3,4]thiadiazolo[3,2-a]benzimidazole?
The canonical SMILES for 2-ethyl-5,5-dimethyl-7,8-dihydro-6H-[1,3,4]thiadiazolo[3,2-a]benzimidazole is CCc1nn2c3c(nc2s1)C(C)(C)CCC3.
What is the InChIKey of 2-ethyl-5,5-dimethyl-7,8-dihydro-6H-[1,3,4]thiadiazolo[3,2-a]benzimidazole?
The InChIKey is HFWYSJNYJHJDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-4-9-14-15-8-6-5-7-12(2,3)10(8)13-11(15)16-9/h4-7H2,1-3H3.
What are the key properties of 2-ethyl-5,5-dimethyl-7,8-dihydro-6H-[1,3,4]thiadiazolo[3,2-a]benzimidazole?
2-ethyl-5,5-dimethyl-7,8-dihydro-6H-[1,3,4]thiadiazolo[3,2-a]benzimidazole has a molecular weight of 235.36 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5,5-dimethyl-7,8-dihydro-6H-[1,3,4]thiadiazolo[3,2-a]benzimidazole is sourced from PubChem (CID 107646230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).