3-cyclopropyl-N-(3-methylbutyl)-1,2,4-thiadiazol-5-amine

C10H17N3S — CID 65270967

IUPAC3-cyclopropyl-N-(3-methylbutyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)CCNc1nc(C2CC2)ns1
InChIInChI=1S/C10H17N3S/c1-7(2)5-6-11-10-12-9(13-14-10)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyVAIHITYQDXLDIN-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.87
Rot. Bonds5

About 3-cyclopropyl-N-(3-methylbutyl)-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-(3-methylbutyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65270967) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 3-cyclopropyl-N-(3-methylbutyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-(3-methylbutyl)-1,2,4-thiadiazol-5-amine
PubChem CID65270967
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name3-cyclopropyl-N-(3-methylbutyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)CCNc1nc(C2CC2)ns1
InChIInChI=1S/C10H17N3S/c1-7(2)5-6-11-10-12-9(13-14-10)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyVAIHITYQDXLDIN-UHFFFAOYSA-N
XLogP2.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65272088
N-[3-(cyclopropylmethoxy)propyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 72112104
N-[(1-bromocyclopropyl)methyl]-3-ethyl-1,2,4-thiadiazol-5-amine
CID 132364818
3-methyl-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269099
N-(2-methylpropyl)-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65267701
3-cyclopropyl-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65271026
3-cyclopropyl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 65271109
3-propan-2-yl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65274381
3-cyclopropyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65274435
3-propyl-N-(3,3,3-trifluoropropyl)-1,2,4-thiadiazol-5-amine
CID 65274436
3-cyclopropyl-N-(2,2-difluoroethyl)-1,2,4-thiadiazol-5-amine
CID 79838766
N-(2,2-difluoroethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 79838861

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-(3-methylbutyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-(3-methylbutyl)-1,2,4-thiadiazol-5-amine (CID 65270967) is 3-cyclopropyl-N-(3-methylbutyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-(3-methylbutyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-(3-methylbutyl)-1,2,4-thiadiazol-5-amine is CC(C)CCNc1nc(C2CC2)ns1.
What is the InChIKey of 3-cyclopropyl-N-(3-methylbutyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is VAIHITYQDXLDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-7(2)5-6-11-10-12-9(13-14-10)8-3-4-8/h7-8H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of 3-cyclopropyl-N-(3-methylbutyl)-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-(3-methylbutyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 211.33 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-(3-methylbutyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65270967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).