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

C10H15N3OS2 — CID 106382547

IUPAC4-[[(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)C1CN=C(NCc2csc(=O)[nH]2)S1
InChIInChI=1S/C10H15N3OS2/c1-6(2)8-4-12-9(16-8)11-3-7-5-15-10(14)13-7/h5-6,8H,3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyXUGUUJKMIQRIEN-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.65
Rot. Bonds3

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

4-[[(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106382547) has the molecular formula C10H15N3OS2 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-[[(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106382547
Molecular FormulaC10H15N3OS2
Molecular Weight257.38 g/mol
Exact Mass257.07
IUPAC Name4-[[(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESCC(C)C1CN=C(NCc2csc(=O)[nH]2)S1
InChIInChI=1S/C10H15N3OS2/c1-6(2)8-4-12-9(16-8)11-3-7-5-15-10(14)13-7/h5-6,8H,3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyXUGUUJKMIQRIEN-UHFFFAOYSA-N
XLogP1.65
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106382547) is 4-[[(5-propan-2-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-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one is CC(C)C1CN=C(NCc2csc(=O)[nH]2)S1.
What is the InChIKey of 4-[[(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is XUGUUJKMIQRIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS2/c1-6(2)8-4-12-9(16-8)11-3-7-5-15-10(14)13-7/h5-6,8H,3-4H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 4-[[(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 257.38 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106382547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).