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

C10H17N3OS — CID 106381551

IUPAC4-[(4-amino-2-methylpiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one
SMILESCC1CC(N)CCN1Cc1csc(=O)[nH]1
InChIInChI=1S/C10H17N3OS/c1-7-4-8(11)2-3-13(7)5-9-6-15-10(14)12-9/h6-8H,2-5,11H2,1H3,(H,12,14)
InChIKeyDECZRWJDZBHKPA-UHFFFAOYSA-N
MW227.33 g/mol
LogP0.75
Rot. Bonds2

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

4-[(4-amino-2-methylpiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106381551) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-[(4-amino-2-methylpiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(4-amino-2-methylpiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one
PubChem CID106381551
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name4-[(4-amino-2-methylpiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one
SMILESCC1CC(N)CCN1Cc1csc(=O)[nH]1
InChIInChI=1S/C10H17N3OS/c1-7-4-8(11)2-3-13(7)5-9-6-15-10(14)12-9/h6-8H,2-5,11H2,1H3,(H,12,14)
InChIKeyDECZRWJDZBHKPA-UHFFFAOYSA-N
XLogP0.75
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-2-methylpiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(4-amino-2-methylpiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one (CID 106381551) is 4-[(4-amino-2-methylpiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(4-amino-2-methylpiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(4-amino-2-methylpiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one is CC1CC(N)CCN1Cc1csc(=O)[nH]1.
What is the InChIKey of 4-[(4-amino-2-methylpiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is DECZRWJDZBHKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7-4-8(11)2-3-13(7)5-9-6-15-10(14)12-9/h6-8H,2-5,11H2,1H3,(H,12,14).
What are the key properties of 4-[(4-amino-2-methylpiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one?
4-[(4-amino-2-methylpiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 227.33 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-2-methylpiperidin-1-yl)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106381551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).