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

C11H18N2OS — CID 106379905

IUPAC4-[(cyclohexylmethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC2CCCCC2)cs1
InChIInChI=1S/C11H18N2OS/c14-11-13-10(8-15-11)7-12-6-9-4-2-1-3-5-9/h8-9,12H,1-7H2,(H,13,14)
InChIKeyOUHKTXITADBASQ-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.11
Rot. Bonds4

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

4-[(cyclohexylmethylamino)methyl]-3H-1,3-thiazol-2-one (PubChem CID 106379905) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 4-[(cyclohexylmethylamino)methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[(cyclohexylmethylamino)methyl]-3H-1,3-thiazol-2-one
PubChem CID106379905
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name4-[(cyclohexylmethylamino)methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNCC2CCCCC2)cs1
InChIInChI=1S/C11H18N2OS/c14-11-13-10(8-15-11)7-12-6-9-4-2-1-3-5-9/h8-9,12H,1-7H2,(H,13,14)
InChIKeyOUHKTXITADBASQ-UHFFFAOYSA-N
XLogP2.11
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(cyclohexylmethylamino)methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[(cyclohexylmethylamino)methyl]-3H-1,3-thiazol-2-one (CID 106379905) is 4-[(cyclohexylmethylamino)methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[(cyclohexylmethylamino)methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[(cyclohexylmethylamino)methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNCC2CCCCC2)cs1.
What is the InChIKey of 4-[(cyclohexylmethylamino)methyl]-3H-1,3-thiazol-2-one?
The InChIKey is OUHKTXITADBASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c14-11-13-10(8-15-11)7-12-6-9-4-2-1-3-5-9/h8-9,12H,1-7H2,(H,13,14).
What are the key properties of 4-[(cyclohexylmethylamino)methyl]-3H-1,3-thiazol-2-one?
4-[(cyclohexylmethylamino)methyl]-3H-1,3-thiazol-2-one has a molecular weight of 226.34 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclohexylmethylamino)methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106379905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).