4a,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole

C9H10N2S — CID 155166553

IUPAC4a,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole
SMILESC1=CN2C3=CCCCC3N=C2S1
InChIInChI=1S/C9H10N2S/c1-2-4-8-7(3-1)10-9-11(8)5-6-12-9/h4-7H,1-3H2
InChIKeyVEUOEKLJYGMQSU-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.31
Rot. Bonds

About 4a,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole

4a,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole (PubChem CID 155166553) has the molecular formula C9H10N2S and a molecular weight of 178.26 g/mol. Its IUPAC name is 4a,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name4a,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole
PubChem CID155166553
Molecular FormulaC9H10N2S
Molecular Weight178.26 g/mol
Exact Mass178.06
IUPAC Name4a,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole
SMILESC1=CN2C3=CCCCC3N=C2S1
InChIInChI=1S/C9H10N2S/c1-2-4-8-7(3-1)10-9-11(8)5-6-12-9/h4-7H,1-3H2
InChIKeyVEUOEKLJYGMQSU-UHFFFAOYSA-N
XLogP2.31
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-oxa-9-thia-1,7-diazatricyclo[6.3.0.02,6]undeca-2,7,10-triene
CID 155166508
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CID 154199633
1-(6-chlorocyclohexen-1-yl)piperidine
CID 12512496
1-(6-ethylcyclohexen-1-yl)pyrrolidine
CID 102116981
1-[(1S)-2-piperidin-1-ylcyclohex-2-en-1-yl]piperidine
CID 135086295
1,2,4a,5,6,7-hexahydroquinoxaline
CID 151446784
2,3-dimethylcyclohept-3-en-1-amine
CID 146285592
1,2-bis(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)ethane-1,2-dione
CID 66794672
(8aR,8bR)-1,2,3,6,7,8,8a,8b-octahydrobiphenylene
CID 91699542
bicyclo[5.2.2]undeca-1,6-diene
CID 71408872
O-(3a,4,5,6-tetrahydro-1H-benzimidazol-2-ylmethyl)hydroxylamine
CID 89489619
3,5,5a,6,7,8-hexahydro-2H-[1,3]thiazolo[2,3-b]quinazoline
CID 155166507

Frequently Asked Questions

What is the IUPAC name of 4a,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole?
The IUPAC name of 4a,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole (CID 155166553) is 4a,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole.
What is the SMILES notation for 4a,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole?
The canonical SMILES for 4a,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole is C1=CN2C3=CCCCC3N=C2S1.
What is the InChIKey of 4a,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole?
The InChIKey is VEUOEKLJYGMQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2S/c1-2-4-8-7(3-1)10-9-11(8)5-6-12-9/h4-7H,1-3H2.
What are the key properties of 4a,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole?
4a,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole has a molecular weight of 178.26 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5,6,7-tetrahydro-[1,3]thiazolo[3,2-a]benzimidazole is sourced from PubChem (CID 155166553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).