N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine

C6H11N3S — CID 65268338

IUPACN-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)CNc1ncns1
InChIInChI=1S/C6H11N3S/c1-5(2)3-7-6-8-4-9-10-6/h4-5H,3H2,1-2H3,(H,7,8,9)
InChIKeyUHHBSVBJIDOXMY-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.61
Rot. Bonds3

About N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine

N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65268338) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
PubChem CID65268338
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC NameN-(2-methylpropyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)CNc1ncns1
InChIInChI=1S/C6H11N3S/c1-5(2)3-7-6-8-4-9-10-6/h4-5H,3H2,1-2H3,(H,7,8,9)
InChIKeyUHHBSVBJIDOXMY-UHFFFAOYSA-N
XLogP1.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.61
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-(4,4,4-trifluorobutyl)-1,2,4-thiadiazol-5-amine
CID 115520544
N-(4-fluorobutyl)-1,2,4-thiadiazol-5-amine
CID 130592971
N-(4,4-difluorobutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 130831786
N-(3-fluorobutyl)-1,2,4-thiadiazol-5-amine
CID 131160593
n-(2,2-Difluorobutyl)-1,2,4-thiadiazol-5-amine
CID 164654642
3-(3-Aminopropylamino)-1,2,4-thiadiazole
CID 20557655

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine (CID 65268338) is N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is CC(C)CNc1ncns1.
What is the InChIKey of N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is UHHBSVBJIDOXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-5(2)3-7-6-8-4-9-10-6/h4-5H,3H2,1-2H3,(H,7,8,9).
What are the key properties of N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine?
N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 157.24 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65268338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).