N-[(2-methyltetrazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine

C5H7N7S — CID 130870036

IUPACN-[(2-methyltetrazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCn1nnc(CNc2nncs2)n1
InChIInChI=1S/C5H7N7S/c1-12-10-4(8-11-12)2-6-5-9-7-3-13-5/h3H,2H2,1H3,(H,6,9)
InChIKeyYJLGEJSTQUXTIU-UHFFFAOYSA-N
MW197.23 g/mol
LogP-0.33
Rot. Bonds3

About N-[(2-methyltetrazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine

N-[(2-methyltetrazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 130870036) has the molecular formula C5H7N7S and a molecular weight of 197.23 g/mol. Its IUPAC name is N-[(2-methyltetrazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(2-methyltetrazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID130870036
Molecular FormulaC5H7N7S
Molecular Weight197.23 g/mol
Exact Mass197.05
IUPAC NameN-[(2-methyltetrazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCn1nnc(CNc2nncs2)n1
InChIInChI=1S/C5H7N7S/c1-12-10-4(8-11-12)2-6-5-9-7-3-13-5/h3H,2H2,1H3,(H,6,9)
InChIKeyYJLGEJSTQUXTIU-UHFFFAOYSA-N
XLogP-0.33
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-fluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 69215565
3,5-difluoro-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 107042078
N-[2-(1-methylimidazol-4-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 130655302
1,3-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine
CID 107042771
N-[(2-methyl-1H-imidazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 103933856
N-[(1-propylpyrrol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 107648591
3,4-dichloro-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 69431441
2,3-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 68880752
2-methyl-N-[(2-methyltetrazol-5-yl)methyl]-1-thiophen-2-ylpropan-1-amine
CID 107042287
N-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 115924571
3-ethyl-1-methyl-N-[(2-methyltetrazol-5-yl)methyl]pyrazol-4-amine
CID 107462626
2,4-dichloro-N-[(2-methyltetrazol-5-yl)methyl]aniline
CID 107042005

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyltetrazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(2-methyltetrazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 130870036) is N-[(2-methyltetrazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(2-methyltetrazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(2-methyltetrazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine is Cn1nnc(CNc2nncs2)n1.
What is the InChIKey of N-[(2-methyltetrazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is YJLGEJSTQUXTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N7S/c1-12-10-4(8-11-12)2-6-5-9-7-3-13-5/h3H,2H2,1H3,(H,6,9).
What are the key properties of N-[(2-methyltetrazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine?
N-[(2-methyltetrazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 197.23 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyltetrazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 130870036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).