4-[(piperidin-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one

C10H17N3OS — CID 106379982

IUPAC4-[(piperidin-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC2CCCCN2)cs1
InChIInChI=1S/C10H17N3OS/c14-10-13-9(7-15-10)6-11-5-8-3-1-2-4-12-8/h7-8,11-12H,1-6H2,(H,13,14)
InChIKeyBMKSJAKVXQYARI-UHFFFAOYSA-N
MW227.33 g/mol
LogP0.67
Rot. Bonds4

About 4-[(piperidin-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one

4-[(piperidin-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379982) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 4-[(piperidin-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(piperidin-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106379982
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name4-[(piperidin-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC2CCCCN2)cs1
InChIInChI=1S/C10H17N3OS/c14-10-13-9(7-15-10)6-11-5-8-3-1-2-4-12-8/h7-8,11-12H,1-6H2,(H,13,14)
InChIKeyBMKSJAKVXQYARI-UHFFFAOYSA-N
XLogP0.67
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(piperidin-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(piperidin-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one (CID 106379982) is 4-[(piperidin-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(piperidin-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(piperidin-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCC2CCCCN2)cs1.
What is the InChIKey of 4-[(piperidin-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is BMKSJAKVXQYARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c14-10-13-9(7-15-10)6-11-5-8-3-1-2-4-12-8/h7-8,11-12H,1-6H2,(H,13,14).
What are the key properties of 4-[(piperidin-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(piperidin-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 227.33 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(piperidin-2-ylmethylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).