4-pentan-3-yl-1,3-thiazol-5-amine

C8H14N2S — CID 62082207

IUPAC4-pentan-3-yl-1,3-thiazol-5-amine
SMILESCCC(CC)c1ncsc1N
InChIInChI=1S/C8H14N2S/c1-3-6(4-2)7-8(9)11-5-10-7/h5-6H,3-4,9H2,1-2H3
InChIKeySHEFAUQPUWXZEM-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.63
Rot. Bonds3

About 4-pentan-3-yl-1,3-thiazol-5-amine

4-pentan-3-yl-1,3-thiazol-5-amine (PubChem CID 62082207) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 4-pentan-3-yl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-pentan-3-yl-1,3-thiazol-5-amine
PubChem CID62082207
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name4-pentan-3-yl-1,3-thiazol-5-amine
SMILESCCC(CC)c1ncsc1N
InChIInChI=1S/C8H14N2S/c1-3-6(4-2)7-8(9)11-5-10-7/h5-6H,3-4,9H2,1-2H3
InChIKeySHEFAUQPUWXZEM-UHFFFAOYSA-N
XLogP2.63
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-pentan-3-yl-1,3-thiazol-5-amine?
The IUPAC name of 4-pentan-3-yl-1,3-thiazol-5-amine (CID 62082207) is 4-pentan-3-yl-1,3-thiazol-5-amine.
What is the SMILES notation for 4-pentan-3-yl-1,3-thiazol-5-amine?
The canonical SMILES for 4-pentan-3-yl-1,3-thiazol-5-amine is CCC(CC)c1ncsc1N.
What is the InChIKey of 4-pentan-3-yl-1,3-thiazol-5-amine?
The InChIKey is SHEFAUQPUWXZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-3-6(4-2)7-8(9)11-5-10-7/h5-6H,3-4,9H2,1-2H3.
What are the key properties of 4-pentan-3-yl-1,3-thiazol-5-amine?
4-pentan-3-yl-1,3-thiazol-5-amine has a molecular weight of 170.28 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentan-3-yl-1,3-thiazol-5-amine is sourced from PubChem (CID 62082207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).