5-N-cyclopropyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine

C6H10N4S — CID 66279017

IUPAC5-N-cyclopropyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine
SMILESCN(c1nc(N)ns1)C1CC1
InChIInChI=1S/C6H10N4S/c1-10(4-2-3-4)6-8-5(7)9-11-6/h4H,2-3H2,1H3,(H2,7,9)
InChIKeyOJJMYBGBCAYHHK-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.72
Rot. Bonds2

About 5-N-cyclopropyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine

5-N-cyclopropyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66279017) has the molecular formula C6H10N4S and a molecular weight of 170.24 g/mol. Its IUPAC name is 5-N-cyclopropyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-cyclopropyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine
PubChem CID66279017
Molecular FormulaC6H10N4S
Molecular Weight170.24 g/mol
Exact Mass170.06
IUPAC Name5-N-cyclopropyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine
SMILESCN(c1nc(N)ns1)C1CC1
InChIInChI=1S/C6H10N4S/c1-10(4-2-3-4)6-8-5(7)9-11-6/h4H,2-3H2,1H3,(H2,7,9)
InChIKeyOJJMYBGBCAYHHK-UHFFFAOYSA-N
XLogP0.72
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66279236
5-N-cyclopropyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66279238
5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66279240
5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazole-3,5-diamine
CID 66281218
3-N,3-N-dipropyl-1,2,4-thiadiazole-3,5-diamine
CID 321851
3-N,5-N-di(butan-2-yl)-1,2,4-thiadiazole-3,5-diamine
CID 10489552
3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine
CID 65269163
5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine
CID 66279423
3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine;molecular hydrogen
CID 167490841
N-cyclopropyl-N,5-dimethyl-1,2,4-thiadiazol-3-amine
CID 169883080
3-N,3-N-diethyl-1,2,4-thiadiazole-3,5-diamine
CID 28908323
3-N-cyclopropyl-1,2,4-thiadiazole-3,5-diamine
CID 64295576

Frequently Asked Questions

What is the IUPAC name of 5-N-cyclopropyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-cyclopropyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine (CID 66279017) is 5-N-cyclopropyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-cyclopropyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-cyclopropyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine is CN(c1nc(N)ns1)C1CC1.
What is the InChIKey of 5-N-cyclopropyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is OJJMYBGBCAYHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4S/c1-10(4-2-3-4)6-8-5(7)9-11-6/h4H,2-3H2,1H3,(H2,7,9).
What are the key properties of 5-N-cyclopropyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine?
5-N-cyclopropyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 170.24 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-cyclopropyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66279017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).