N-[1-(aminomethyl)cyclopentyl]-5-methyl-1,3,4-thiadiazol-2-amine

C9H16N4S — CID 65208271

IUPACN-[1-(aminomethyl)cyclopentyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC2(CN)CCCC2)s1
InChIInChI=1S/C9H16N4S/c1-7-12-13-8(14-7)11-9(6-10)4-2-3-5-9/h2-6,10H2,1H3,(H,11,13)
InChIKeyBRPTUWAXPHDZHT-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.53
Rot. Bonds3

About N-[1-(aminomethyl)cyclopentyl]-5-methyl-1,3,4-thiadiazol-2-amine

N-[1-(aminomethyl)cyclopentyl]-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 65208271) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID65208271
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(NC2(CN)CCCC2)s1
InChIInChI=1S/C9H16N4S/c1-7-12-13-8(14-7)11-9(6-10)4-2-3-5-9/h2-6,10H2,1H3,(H,11,13)
InChIKeyBRPTUWAXPHDZHT-UHFFFAOYSA-N
XLogP1.53
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-5-methyl-1,3,4-thiadiazol-2-amine (CID 65208271) is N-[1-(aminomethyl)cyclopentyl]-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(NC2(CN)CCCC2)s1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is BRPTUWAXPHDZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-7-12-13-8(14-7)11-9(6-10)4-2-3-5-9/h2-6,10H2,1H3,(H,11,13).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-5-methyl-1,3,4-thiadiazol-2-amine?
N-[1-(aminomethyl)cyclopentyl]-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 212.32 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 65208271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).