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

C9H14N2OS — CID 106379730

IUPAC4-[(cyclopentylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2CCCC2)cs1
InChIInChI=1S/C9H14N2OS/c12-9-11-8(6-13-9)5-10-7-3-1-2-4-7/h6-7,10H,1-5H2,(H,11,12)
InChIKeyBSXMDLJRQOPYKG-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.47
Rot. Bonds3

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

4-[(cyclopentylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379730) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 4-[(cyclopentylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(cyclopentylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106379730
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name4-[(cyclopentylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2CCCC2)cs1
InChIInChI=1S/C9H14N2OS/c12-9-11-8(6-13-9)5-10-7-3-1-2-4-7/h6-7,10H,1-5H2,(H,11,12)
InChIKeyBSXMDLJRQOPYKG-UHFFFAOYSA-N
XLogP1.47
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopentylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(cyclopentylamino)methyl]-3H-1,3-thiazol-2-one (CID 106379730) is 4-[(cyclopentylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(cyclopentylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(cyclopentylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNC2CCCC2)cs1.
What is the InChIKey of 4-[(cyclopentylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is BSXMDLJRQOPYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c12-9-11-8(6-13-9)5-10-7-3-1-2-4-7/h6-7,10H,1-5H2,(H,11,12).
What are the key properties of 4-[(cyclopentylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(cyclopentylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 198.29 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopentylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).