N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine

C7H7N5S — CID 82669856

IUPACN-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESc1ncc(CNc2nncs2)cn1
InChIInChI=1S/C7H7N5S/c1-6(2-9-4-8-1)3-10-7-12-11-5-13-7/h1-2,4-5H,3H2,(H,10,12)
InChIKeyANYJONYRQWTTBY-UHFFFAOYSA-N
MW193.24 g/mol
LogP0.94
Rot. Bonds3

About N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine

N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 82669856) has the molecular formula C7H7N5S and a molecular weight of 193.24 g/mol. Its IUPAC name is N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID82669856
Molecular FormulaC7H7N5S
Molecular Weight193.24 g/mol
Exact Mass193.04
IUPAC NameN-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESc1ncc(CNc2nncs2)cn1
InChIInChI=1S/C7H7N5S/c1-6(2-9-4-8-1)3-10-7-12-11-5-13-7/h1-2,4-5H,3H2,(H,10,12)
InChIKeyANYJONYRQWTTBY-UHFFFAOYSA-N
XLogP0.94
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(chloromethyl)phenyl]methyl]-1,3,4-thiadiazol-2-amine
CID 107233099
5-ethyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 115924687
5-propyl-N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 115925012
N-(2,2-difluoroethyl)-1,3,4-thiadiazol-2-amine
CID 115407570
N-[(1-phenylpyrazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 103746202
N-[(4-bromo-3-fluorophenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 115924514
N-[(2-methyl-1H-imidazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 103933856
N-[(3-propylimidazol-4-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 107648818
N-[(4-fluoro-3-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 83296865
N-[(2-methyltetrazol-5-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 130870036
N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 75517126
5-(1,3,4-thiadiazol-2-ylamino)pentan-1-ol
CID 107318161

Frequently Asked Questions

What is the IUPAC name of N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine (CID 82669856) is N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine is c1ncc(CNc2nncs2)cn1.
What is the InChIKey of N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is ANYJONYRQWTTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5S/c1-6(2-9-4-8-1)3-10-7-12-11-5-13-7/h1-2,4-5H,3H2,(H,10,12).
What are the key properties of N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine?
N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 193.24 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrimidin-5-ylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 82669856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).