4-ethyl-N-propan-2-yl-1,3-thiazol-2-amine

C8H14N2S — CID 58336980

IUPAC4-ethyl-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCCc1csc(NC(C)C)n1
InChIInChI=1S/C8H14N2S/c1-4-7-5-11-8(10-7)9-6(2)3/h5-6H,4H2,1-3H3,(H,9,10)
InChIKeyXQVOPFYZBVKIBE-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.53
Rot. Bonds3

About 4-ethyl-N-propan-2-yl-1,3-thiazol-2-amine

4-ethyl-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 58336980) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 4-ethyl-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID58336980
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name4-ethyl-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCCc1csc(NC(C)C)n1
InChIInChI=1S/C8H14N2S/c1-4-7-5-11-8(10-7)9-6(2)3/h5-6H,4H2,1-3H3,(H,9,10)
InChIKeyXQVOPFYZBVKIBE-UHFFFAOYSA-N
XLogP2.53
TPSA24.92 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 ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-propan-2-yl-1,3-thiazol-2-amine (CID 58336980) is 4-ethyl-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-propan-2-yl-1,3-thiazol-2-amine is CCc1csc(NC(C)C)n1.
What is the InChIKey of 4-ethyl-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is XQVOPFYZBVKIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-4-7-5-11-8(10-7)9-6(2)3/h5-6H,4H2,1-3H3,(H,9,10).
What are the key properties of 4-ethyl-N-propan-2-yl-1,3-thiazol-2-amine?
4-ethyl-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 170.28 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 58336980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).