N-pentan-2-yl-1,3-thiazol-2-amine

C8H14N2S — CID 43099051

IUPACN-pentan-2-yl-1,3-thiazol-2-amine
SMILESCCCC(C)Nc1nccs1
InChIInChI=1S/C8H14N2S/c1-3-4-7(2)10-8-9-5-6-11-8/h5-7H,3-4H2,1-2H3,(H,9,10)
InChIKeyICYFKLMNOBCBLK-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.74
Rot. Bonds4

About N-pentan-2-yl-1,3-thiazol-2-amine

N-pentan-2-yl-1,3-thiazol-2-amine (PubChem CID 43099051) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is N-pentan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-pentan-2-yl-1,3-thiazol-2-amine
PubChem CID43099051
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC NameN-pentan-2-yl-1,3-thiazol-2-amine
SMILESCCCC(C)Nc1nccs1
InChIInChI=1S/C8H14N2S/c1-3-4-7(2)10-8-9-5-6-11-8/h5-7H,3-4H2,1-2H3,(H,9,10)
InChIKeyICYFKLMNOBCBLK-UHFFFAOYSA-N
XLogP2.74
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
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-pentan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-pentan-2-yl-1,3-thiazol-2-amine (CID 43099051) is N-pentan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-pentan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-pentan-2-yl-1,3-thiazol-2-amine is CCCC(C)Nc1nccs1.
What is the InChIKey of N-pentan-2-yl-1,3-thiazol-2-amine?
The InChIKey is ICYFKLMNOBCBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-3-4-7(2)10-8-9-5-6-11-8/h5-7H,3-4H2,1-2H3,(H,9,10).
What are the key properties of N-pentan-2-yl-1,3-thiazol-2-amine?
N-pentan-2-yl-1,3-thiazol-2-amine has a molecular weight of 170.28 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 43099051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).