4-[[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one

C12H19N3OS2 — CID 106382561

IUPAC4-[[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCC(CC)C1CN=C(NCc2csc(=O)[nH]2)S1
InChIInChI=1S/C12H19N3OS2/c1-3-8(4-2)10-6-14-11(18-10)13-5-9-7-17-12(16)15-9/h7-8,10H,3-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyHGFGXVNIPIZVKO-UHFFFAOYSA-N
MW285.44 g/mol
LogP2.43
Rot. Bonds5

About 4-[[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one

4-[[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106382561) has the molecular formula C12H19N3OS2 and a molecular weight of 285.44 g/mol. Its IUPAC name is 4-[[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106382561
Molecular FormulaC12H19N3OS2
Molecular Weight285.44 g/mol
Exact Mass285.10
IUPAC Name4-[[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCCC(CC)C1CN=C(NCc2csc(=O)[nH]2)S1
InChIInChI=1S/C12H19N3OS2/c1-3-8(4-2)10-6-14-11(18-10)13-5-9-7-17-12(16)15-9/h7-8,10H,3-6H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyHGFGXVNIPIZVKO-UHFFFAOYSA-N
XLogP2.43
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106382561) is 4-[[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one is CCC(CC)C1CN=C(NCc2csc(=O)[nH]2)S1.
What is the InChIKey of 4-[[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is HGFGXVNIPIZVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS2/c1-3-8(4-2)10-6-14-11(18-10)13-5-9-7-17-12(16)15-9/h7-8,10H,3-6H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 4-[[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 285.44 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106382561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).