2-methyl-5-(2H-tetrazol-5-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

C9H12N6S — CID 139573563

IUPAC2-methyl-5-(2H-tetrazol-5-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCc1nc2c(s1)CN(Cc1nn[nH]n1)CC2
InChIInChI=1S/C9H12N6S/c1-6-10-7-2-3-15(4-8(7)16-6)5-9-11-13-14-12-9/h2-5H2,1H3,(H,11,12,13,14)
InChIKeyZSFLEPMIWPHSNX-UHFFFAOYSA-N
MW236.30 g/mol
LogP0.52
Rot. Bonds2

About 2-methyl-5-(2H-tetrazol-5-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine

2-methyl-5-(2H-tetrazol-5-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (PubChem CID 139573563) has the molecular formula C9H12N6S and a molecular weight of 236.30 g/mol. Its IUPAC name is 2-methyl-5-(2H-tetrazol-5-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-methyl-5-(2H-tetrazol-5-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
PubChem CID139573563
Molecular FormulaC9H12N6S
Molecular Weight236.30 g/mol
Exact Mass236.08
IUPAC Name2-methyl-5-(2H-tetrazol-5-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
SMILESCc1nc2c(s1)CN(Cc1nn[nH]n1)CC2
InChIInChI=1S/C9H12N6S/c1-6-10-7-2-3-15(4-8(7)16-6)5-9-11-13-14-12-9/h2-5H2,1H3,(H,11,12,13,14)
InChIKeyZSFLEPMIWPHSNX-UHFFFAOYSA-N
XLogP0.52
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-5-(2H-tetrazol-5-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine with MolForge

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Related Compounds

5-(2,2-dimethylpropyl)-2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 118375132
N-methyl-2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)acetamide
CID 139573239
5-ethyl-2-[(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)methylsulfanyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 123501713
2-(2-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-5-yl)acetic acid
CID 139573560
2-(chloromethyl)-5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 62923059
[4-[5-(2-amino-2-oxoethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-2-methylbutan-2-yl] 2-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 123755009
5-ethyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine
CID 70919757
5-methyl-4-thia-1,6,9-triazatricyclo[7.4.0.03,7]trideca-3(7),5-diene
CID 142198056
5-benzyl-N-(2-methylpropyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 62942181
N-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide
CID 17453392
2-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)guanidine
CID 10082387
(5-propyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanol
CID 62921639

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(2H-tetrazol-5-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The IUPAC name of 2-methyl-5-(2H-tetrazol-5-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine (CID 139573563) is 2-methyl-5-(2H-tetrazol-5-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine.
What is the SMILES notation for 2-methyl-5-(2H-tetrazol-5-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The canonical SMILES for 2-methyl-5-(2H-tetrazol-5-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is Cc1nc2c(s1)CN(Cc1nn[nH]n1)CC2.
What is the InChIKey of 2-methyl-5-(2H-tetrazol-5-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
The InChIKey is ZSFLEPMIWPHSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6S/c1-6-10-7-2-3-15(4-8(7)16-6)5-9-11-13-14-12-9/h2-5H2,1H3,(H,11,12,13,14).
What are the key properties of 2-methyl-5-(2H-tetrazol-5-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine?
2-methyl-5-(2H-tetrazol-5-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine has a molecular weight of 236.30 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2H-tetrazol-5-ylmethyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine is sourced from PubChem (CID 139573563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).