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

C11H19N3S — CID 114547755

IUPACN-(3-methylcyclopentyl)-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NC2CCC(C)C2)n1
InChIInChI=1S/C11H19N3S/c1-3-4-10-13-11(15-14-10)12-9-6-5-8(2)7-9/h8-9H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyIHNXZEOQAMQLRF-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.09
Rot. Bonds4

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

N-(3-methylcyclopentyl)-3-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 114547755) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is N-(3-methylcyclopentyl)-3-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(3-methylcyclopentyl)-3-propyl-1,2,4-thiadiazol-5-amine
PubChem CID114547755
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC NameN-(3-methylcyclopentyl)-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NC2CCC(C)C2)n1
InChIInChI=1S/C11H19N3S/c1-3-4-10-13-11(15-14-10)12-9-6-5-8(2)7-9/h8-9H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyIHNXZEOQAMQLRF-UHFFFAOYSA-N
XLogP3.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 65274405
N-(2-methylpiperidin-4-yl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 106996290
4-N-(3-propyl-1,2,4-thiadiazol-5-yl)cyclohexane-1,4-diamine
CID 65271851
N-piperidin-3-yl-3-propyl-1,2,4-thiadiazol-5-amine
CID 65275895
N-[2-(3-methylcyclohexyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65273710
N-(2-methylsulfanylcyclohexyl)-3-propyl-1,2,4-thiadiazol-5-amine
CID 114123761
N-cyclopropyl-3-[(dimethylamino)methyl]-1,2,4-thiadiazol-5-amine
CID 79085318
6-N-ethyl-5-methyl-4-N-(3-methylcyclopentyl)-2-propylpyrimidine-4,6-diamine
CID 114542059
3-[[(3-propyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol
CID 106128094
1-cyclohexyl-N-(3-propyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 115309534
N-[(4-chlorocyclohexyl)methyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 106125743
3-ethyl-N-[(3-methylcyclobutyl)methyl]-1,2,4-thiadiazol-5-amine
CID 164660260

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclopentyl)-3-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(3-methylcyclopentyl)-3-propyl-1,2,4-thiadiazol-5-amine (CID 114547755) is N-(3-methylcyclopentyl)-3-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(3-methylcyclopentyl)-3-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(3-methylcyclopentyl)-3-propyl-1,2,4-thiadiazol-5-amine is CCCc1nsc(NC2CCC(C)C2)n1.
What is the InChIKey of N-(3-methylcyclopentyl)-3-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is IHNXZEOQAMQLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-3-4-10-13-11(15-14-10)12-9-6-5-8(2)7-9/h8-9H,3-7H2,1-2H3,(H,12,13,14).
What are the key properties of N-(3-methylcyclopentyl)-3-propyl-1,2,4-thiadiazol-5-amine?
N-(3-methylcyclopentyl)-3-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 225.36 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylcyclopentyl)-3-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 114547755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).