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

C10H16N2OS — CID 106379970

IUPAC4-[(cyclopentylmethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC2CCCC2)cs1
InChIInChI=1S/C10H16N2OS/c13-10-12-9(7-14-10)6-11-5-8-3-1-2-4-8/h7-8,11H,1-6H2,(H,12,13)
InChIKeyKVPHEHGSTYNMMI-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.72
Rot. Bonds4

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

4-[(cyclopentylmethylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379970) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 4-[(cyclopentylmethylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(cyclopentylmethylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106379970
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name4-[(cyclopentylmethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC2CCCC2)cs1
InChIInChI=1S/C10H16N2OS/c13-10-12-9(7-14-10)6-11-5-8-3-1-2-4-8/h7-8,11H,1-6H2,(H,12,13)
InChIKeyKVPHEHGSTYNMMI-UHFFFAOYSA-N
XLogP1.72
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopentylmethylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(cyclopentylmethylamino)methyl]-3H-1,3-thiazol-2-one (CID 106379970) is 4-[(cyclopentylmethylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(cyclopentylmethylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(cyclopentylmethylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCC2CCCC2)cs1.
What is the InChIKey of 4-[(cyclopentylmethylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is KVPHEHGSTYNMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c13-10-12-9(7-14-10)6-11-5-8-3-1-2-4-8/h7-8,11H,1-6H2,(H,12,13).
What are the key properties of 4-[(cyclopentylmethylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(cyclopentylmethylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 212.32 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopentylmethylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).