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

C10H13N3S — CID 107646659

IUPAC2,7-dimethyl-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole
SMILESCc1nn2c3c(nc2s1)CCC(C)C3
InChIInChI=1S/C10H13N3S/c1-6-3-4-8-9(5-6)13-10(11-8)14-7(2)12-13/h6H,3-5H2,1-2H3
InChIKeyBKTYZSWVDYWSNA-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.22
Rot. Bonds

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

2,7-dimethyl-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole (PubChem CID 107646659) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 2,7-dimethyl-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name2,7-dimethyl-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole
PubChem CID107646659
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name2,7-dimethyl-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole
SMILESCc1nn2c3c(nc2s1)CCC(C)C3
InChIInChI=1S/C10H13N3S/c1-6-3-4-8-9(5-6)13-10(11-8)14-7(2)12-13/h6H,3-5H2,1-2H3
InChIKeyBKTYZSWVDYWSNA-UHFFFAOYSA-N
XLogP2.22
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-5,11-dithia-2,3,7-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,6-triene
CID 107646519
2-(6-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)cyclopentane-1-carboxylic acid
CID 82383373
2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole
CID 12575563
N,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 62943290
4-methoxy-13-methyl-14-thia-11,12,16-triazatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2(7),3,5,12,15-hexaene
CID 107646500
1-acetyl-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)azetidine-3-carboxamide
CID 110246357
(13R)-4,7,13-trimethyl-10-thia-3,5,6,8-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2,4,7,11(16)-pentaene
CID 2038015
6-ethynyl-2,5-dimethylimidazo[2,1-b][1,3,4]thiadiazole
CID 107646710
6-ethyl-2-methylimidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
CID 107646966
4-bromo-11-oxa-5-thia-2,3,7-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,6-triene
CID 43608944
5-chloro-3-methyl-1-[(4-methylphenyl)methyl]-N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrazole-4-carboxamide
CID 18270741
3-methyl-N-[(6S)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl]-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 2316216

Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole?
The IUPAC name of 2,7-dimethyl-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole (CID 107646659) is 2,7-dimethyl-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole.
What is the SMILES notation for 2,7-dimethyl-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole?
The canonical SMILES for 2,7-dimethyl-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole is Cc1nn2c3c(nc2s1)CCC(C)C3.
What is the InChIKey of 2,7-dimethyl-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole?
The InChIKey is BKTYZSWVDYWSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-6-3-4-8-9(5-6)13-10(11-8)14-7(2)12-13/h6H,3-5H2,1-2H3.
What are the key properties of 2,7-dimethyl-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole?
2,7-dimethyl-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole has a molecular weight of 207.30 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-5,6,7,8-tetrahydro-[1,3,4]thiadiazolo[3,2-a]benzimidazole is sourced from PubChem (CID 107646659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).