5-[(dimethylamino)methyl]-1,3,4-thiadiazol-2-amine

C5H10N4S — CID 63189099

IUPAC5-[(dimethylamino)methyl]-1,3,4-thiadiazol-2-amine
SMILESCN(C)Cc1nnc(N)s1
InChIInChI=1S/C5H10N4S/c1-9(2)3-4-7-8-5(6)10-4/h3H2,1-2H3,(H2,6,8)
InChIKeyBHWOPHQJYBJSFP-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.18
Rot. Bonds2

About 5-[(dimethylamino)methyl]-1,3,4-thiadiazol-2-amine

5-[(dimethylamino)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 63189099) has the molecular formula C5H10N4S and a molecular weight of 158.23 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID63189099
Molecular FormulaC5H10N4S
Molecular Weight158.23 g/mol
Exact Mass158.06
IUPAC Name5-[(dimethylamino)methyl]-1,3,4-thiadiazol-2-amine
SMILESCN(C)Cc1nnc(N)s1
InChIInChI=1S/C5H10N4S/c1-9(2)3-4-7-8-5(6)10-4/h3H2,1-2H3,(H2,6,8)
InChIKeyBHWOPHQJYBJSFP-UHFFFAOYSA-N
XLogP0.18
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80606683
5-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80606999
5-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607003
5-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607633
5-[[Methyl(3,3,3-trifluoropropyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 80608074
N-ethyl-2,2,2-trifluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]ethanamine
CID 80613569
2,2,2-trifluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine
CID 80614473
5-[[2,2-Difluoroethyl(methyl)amino]methyl]-1,3,4-thiadiazol-2-amine
CID 116317428
2,2-difluoro-N-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine
CID 116317474
2-Amino-5-diethylaminomethyl-1,3,4-thiadiazole
CID 13389310
5-[2-(Dimethylamino)ethyl]-1,3,4-thiadiazol-2-amine
CID 28065408
5-Amino-4-[ethyl(methyl)amino]-1,3,4-thiadiazol-4-ium-2-carbonitrile
CID 54103331

Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(dimethylamino)methyl]-1,3,4-thiadiazol-2-amine (CID 63189099) is 5-[(dimethylamino)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(dimethylamino)methyl]-1,3,4-thiadiazol-2-amine is CN(C)Cc1nnc(N)s1.
What is the InChIKey of 5-[(dimethylamino)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is BHWOPHQJYBJSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4S/c1-9(2)3-4-7-8-5(6)10-4/h3H2,1-2H3,(H2,6,8).
What are the key properties of 5-[(dimethylamino)methyl]-1,3,4-thiadiazol-2-amine?
5-[(dimethylamino)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 158.23 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 63189099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).