4-[(1-cyclopropylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one

C10H16N2OS — CID 106380228

IUPAC4-[(1-cyclopropylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCC(CC1CC1)NCc1csc(=O)[nH]1
InChIInChI=1S/C10H16N2OS/c1-7(4-8-2-3-8)11-5-9-6-14-10(13)12-9/h6-8,11H,2-5H2,1H3,(H,12,13)
InChIKeyXTETUAUKGGZJEG-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.71
Rot. Bonds5

About 4-[(1-cyclopropylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one

4-[(1-cyclopropylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380228) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 4-[(1-cyclopropylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(1-cyclopropylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106380228
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name4-[(1-cyclopropylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one
SMILESCC(CC1CC1)NCc1csc(=O)[nH]1
InChIInChI=1S/C10H16N2OS/c1-7(4-8-2-3-8)11-5-9-6-14-10(13)12-9/h6-8,11H,2-5H2,1H3,(H,12,13)
InChIKeyXTETUAUKGGZJEG-UHFFFAOYSA-N
XLogP1.71
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopropylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(1-cyclopropylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one (CID 106380228) is 4-[(1-cyclopropylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(1-cyclopropylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(1-cyclopropylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one is CC(CC1CC1)NCc1csc(=O)[nH]1.
What is the InChIKey of 4-[(1-cyclopropylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is XTETUAUKGGZJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7(4-8-2-3-8)11-5-9-6-14-10(13)12-9/h6-8,11H,2-5H2,1H3,(H,12,13).
What are the key properties of 4-[(1-cyclopropylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(1-cyclopropylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 212.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopropylpropan-2-ylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).