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

C7H13N3S — CID 65270965

IUPACN-(3-methylbutyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)CCNc1ncns1
InChIInChI=1S/C7H13N3S/c1-6(2)3-4-8-7-9-5-10-11-7/h5-6H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyVGUJTWWONHGNOA-UHFFFAOYSA-N
MW171.27 g/mol
LogP2.00
Rot. Bonds4

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

N-(3-methylbutyl)-1,2,4-thiadiazol-5-amine (PubChem CID 65270965) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is N-(3-methylbutyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(3-methylbutyl)-1,2,4-thiadiazol-5-amine
PubChem CID65270965
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC NameN-(3-methylbutyl)-1,2,4-thiadiazol-5-amine
SMILESCC(C)CCNc1ncns1
InChIInChI=1S/C7H13N3S/c1-6(2)3-4-8-7-9-5-10-11-7/h5-6H,3-4H2,1-2H3,(H,8,9,10)
InChIKeyVGUJTWWONHGNOA-UHFFFAOYSA-N
XLogP2.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-butyl-1,2,4-thiadiazole-3,5-diamine
CID 2803931
5-N-propyl-1,2,4-thiadiazole-3,5-diamine
CID 65440648
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-(5,5,5-trifluoropentyl)-1,2,4-thiadiazol-5-amine
CID 115520652
N-(4-fluorobutyl)-1,2,4-thiadiazol-5-amine
CID 130592971
N-[[1-(difluoromethyl)cyclopropyl]methyl]-1,2,4-thiadiazol-5-amine
CID 130708125
N-(4,4-difluorobutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 130831786
N-[(1-fluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine
CID 131101669
N-[(3,3-difluorocyclobutyl)methyl]-1,2,4-thiadiazol-5-amine
CID 131101687
N-(3-fluorobutyl)-1,2,4-thiadiazol-5-amine
CID 131160593
n5-(3-Fluoro-3-methylbutyl)-1,2,4-thiadiazole-3,5-diamine
CID 164651830

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(3-methylbutyl)-1,2,4-thiadiazol-5-amine (CID 65270965) is N-(3-methylbutyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(3-methylbutyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(3-methylbutyl)-1,2,4-thiadiazol-5-amine is CC(C)CCNc1ncns1.
What is the InChIKey of N-(3-methylbutyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is VGUJTWWONHGNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-6(2)3-4-8-7-9-5-10-11-7/h5-6H,3-4H2,1-2H3,(H,8,9,10).
What are the key properties of N-(3-methylbutyl)-1,2,4-thiadiazol-5-amine?
N-(3-methylbutyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 171.27 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65270965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).