4-[[(2-pyrrolidin-2-ylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one

C14H23N3OS — CID 106380104

IUPAC4-[[(2-pyrrolidin-2-ylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2CCCCC2C2CCCN2)cs1
InChIInChI=1S/C14H23N3OS/c18-14-17-10(9-19-14)8-16-13-5-2-1-4-11(13)12-6-3-7-15-12/h9,11-13,15-16H,1-8H2,(H,17,18)
InChIKeySBXINDNROXLRSD-UHFFFAOYSA-N
MW281.42 g/mol
LogP1.84
Rot. Bonds4

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

4-[[(2-pyrrolidin-2-ylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380104) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is 4-[[(2-pyrrolidin-2-ylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[(2-pyrrolidin-2-ylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380104
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name4-[[(2-pyrrolidin-2-ylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one
SMILESO=c1[nH]c(CNC2CCCCC2C2CCCN2)cs1
InChIInChI=1S/C14H23N3OS/c18-14-17-10(9-19-14)8-16-13-5-2-1-4-11(13)12-6-3-7-15-12/h9,11-13,15-16H,1-8H2,(H,17,18)
InChIKeySBXINDNROXLRSD-UHFFFAOYSA-N
XLogP1.84
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2-pyrrolidin-2-ylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[(2-pyrrolidin-2-ylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one (CID 106380104) is 4-[[(2-pyrrolidin-2-ylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[(2-pyrrolidin-2-ylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[(2-pyrrolidin-2-ylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one is O=c1[nH]c(CNC2CCCCC2C2CCCN2)cs1.
What is the InChIKey of 4-[[(2-pyrrolidin-2-ylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is SBXINDNROXLRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c18-14-17-10(9-19-14)8-16-13-5-2-1-4-11(13)12-6-3-7-15-12/h9,11-13,15-16H,1-8H2,(H,17,18).
What are the key properties of 4-[[(2-pyrrolidin-2-ylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one?
4-[[(2-pyrrolidin-2-ylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 281.42 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-pyrrolidin-2-ylcyclohexyl)amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).