N-[1-(2,2-dimethylcyclopropyl)propyl]thiadiazol-5-amine

C10H17N3S — CID 131002885

IUPACN-[1-(2,2-dimethylcyclopropyl)propyl]thiadiazol-5-amine
SMILESCCC(Nc1cnns1)C1CC1(C)C
InChIInChI=1S/C10H17N3S/c1-4-8(7-5-10(7,2)3)12-9-6-11-13-14-9/h6-8,12H,4-5H2,1-3H3
InChIKeyRHMYSRQDEKFMQT-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.77
Rot. Bonds4

About N-[1-(2,2-dimethylcyclopropyl)propyl]thiadiazol-5-amine

N-[1-(2,2-dimethylcyclopropyl)propyl]thiadiazol-5-amine (PubChem CID 131002885) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is N-[1-(2,2-dimethylcyclopropyl)propyl]thiadiazol-5-amine.

Molecular Properties

Compound NameN-[1-(2,2-dimethylcyclopropyl)propyl]thiadiazol-5-amine
PubChem CID131002885
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC NameN-[1-(2,2-dimethylcyclopropyl)propyl]thiadiazol-5-amine
SMILESCCC(Nc1cnns1)C1CC1(C)C
InChIInChI=1S/C10H17N3S/c1-4-8(7-5-10(7,2)3)12-9-6-11-13-14-9/h6-8,12H,4-5H2,1-3H3
InChIKeyRHMYSRQDEKFMQT-UHFFFAOYSA-N
XLogP2.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-dimethylcyclopropyl)propyl]thiadiazol-5-amine?
The IUPAC name of N-[1-(2,2-dimethylcyclopropyl)propyl]thiadiazol-5-amine (CID 131002885) is N-[1-(2,2-dimethylcyclopropyl)propyl]thiadiazol-5-amine.
What is the SMILES notation for N-[1-(2,2-dimethylcyclopropyl)propyl]thiadiazol-5-amine?
The canonical SMILES for N-[1-(2,2-dimethylcyclopropyl)propyl]thiadiazol-5-amine is CCC(Nc1cnns1)C1CC1(C)C.
What is the InChIKey of N-[1-(2,2-dimethylcyclopropyl)propyl]thiadiazol-5-amine?
The InChIKey is RHMYSRQDEKFMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-4-8(7-5-10(7,2)3)12-9-6-11-13-14-9/h6-8,12H,4-5H2,1-3H3.
What are the key properties of N-[1-(2,2-dimethylcyclopropyl)propyl]thiadiazol-5-amine?
N-[1-(2,2-dimethylcyclopropyl)propyl]thiadiazol-5-amine has a molecular weight of 211.33 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethylcyclopropyl)propyl]thiadiazol-5-amine is sourced from PubChem (CID 131002885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).