N-[1-(1-methylcyclopropyl)ethyl]-1,3-thiazol-2-amine

C9H14N2S — CID 79046980

IUPACN-[1-(1-methylcyclopropyl)ethyl]-1,3-thiazol-2-amine
SMILESCC(Nc1nccs1)C1(C)CC1
InChIInChI=1S/C9H14N2S/c1-7(9(2)3-4-9)11-8-10-5-6-12-8/h5-7H,3-4H2,1-2H3,(H,10,11)
InChIKeyGYUKIEJGYMCGPP-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.74
Rot. Bonds3

About N-[1-(1-methylcyclopropyl)ethyl]-1,3-thiazol-2-amine

N-[1-(1-methylcyclopropyl)ethyl]-1,3-thiazol-2-amine (PubChem CID 79046980) has the molecular formula C9H14N2S and a molecular weight of 182.29 g/mol. Its IUPAC name is N-[1-(1-methylcyclopropyl)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(1-methylcyclopropyl)ethyl]-1,3-thiazol-2-amine
PubChem CID79046980
Molecular FormulaC9H14N2S
Molecular Weight182.29 g/mol
Exact Mass182.09
IUPAC NameN-[1-(1-methylcyclopropyl)ethyl]-1,3-thiazol-2-amine
SMILESCC(Nc1nccs1)C1(C)CC1
InChIInChI=1S/C9H14N2S/c1-7(9(2)3-4-9)11-8-10-5-6-12-8/h5-7H,3-4H2,1-2H3,(H,10,11)
InChIKeyGYUKIEJGYMCGPP-UHFFFAOYSA-N
XLogP2.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(1-methylcyclopropyl)ethyl]-1,3-thiazol-2-amine (CID 79046980) is N-[1-(1-methylcyclopropyl)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(1-methylcyclopropyl)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(1-methylcyclopropyl)ethyl]-1,3-thiazol-2-amine is CC(Nc1nccs1)C1(C)CC1.
What is the InChIKey of N-[1-(1-methylcyclopropyl)ethyl]-1,3-thiazol-2-amine?
The InChIKey is GYUKIEJGYMCGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2S/c1-7(9(2)3-4-9)11-8-10-5-6-12-8/h5-7H,3-4H2,1-2H3,(H,10,11).
What are the key properties of N-[1-(1-methylcyclopropyl)ethyl]-1,3-thiazol-2-amine?
N-[1-(1-methylcyclopropyl)ethyl]-1,3-thiazol-2-amine has a molecular weight of 182.29 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylcyclopropyl)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79046980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).