N-propan-2-yl-1,2,4-thiadiazol-5-amine

C5H9N3S — CID 65268484

IUPACN-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)Nc1ncns1
InChIInChI=1S/C5H9N3S/c1-4(2)8-5-6-3-7-9-5/h3-4H,1-2H3,(H,6,7,8)
InChIKeyIKIIQNUAQPNPEN-UHFFFAOYSA-N
MW143.22 g/mol
LogP1.36
Rot. Bonds2

About N-propan-2-yl-1,2,4-thiadiazol-5-amine

N-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65268484) has the molecular formula C5H9N3S and a molecular weight of 143.22 g/mol. Its IUPAC name is N-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID65268484
Molecular FormulaC5H9N3S
Molecular Weight143.22 g/mol
Exact Mass143.05
IUPAC NameN-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)Nc1ncns1
InChIInChI=1S/C5H9N3S/c1-4(2)8-5-6-3-7-9-5/h3-4H,1-2H3,(H,6,7,8)
InChIKeyIKIIQNUAQPNPEN-UHFFFAOYSA-N
XLogP1.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N,5-N-diethyl-1,2,4-thiadiazole-3,5-diamine
CID 44452499
5-N-butyl-1,2,4-thiadiazole-3,5-diamine
CID 2803931
5-N-ethyl-1,2,4-thiadiazole-3,5-diamine
CID 55281762
5-N-propyl-1,2,4-thiadiazole-3,5-diamine
CID 65440648
N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65274380
N-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 104854570
N-(2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine
CID 115407615
N-(4,4,4-trifluorobutyl)-1,2,4-thiadiazol-5-amine
CID 115520544
5-N-(1,1-difluoropropan-2-yl)-1,2,4-thiadiazole-3,5-diamine
CID 127011518
N-(4-fluorobutyl)-1,2,4-thiadiazol-5-amine
CID 130592971
N-(3-fluorocyclopentyl)-1,2,4-thiadiazol-5-amine
CID 130742298
N-(4,4-difluorobutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 130831786

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 65268484) is N-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)Nc1ncns1.
What is the InChIKey of N-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is IKIIQNUAQPNPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S/c1-4(2)8-5-6-3-7-9-5/h3-4H,1-2H3,(H,6,7,8).
What are the key properties of N-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 143.22 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).