4-[[[2-(aminomethyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one

C11H19N3OS — CID 106380214

IUPAC4-[[[2-(aminomethyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESNCC1CCCCC1NCc1csc(=O)[nH]1
InChIInChI=1S/C11H19N3OS/c12-5-8-3-1-2-4-10(8)13-6-9-7-16-11(15)14-9/h7-8,10,13H,1-6,12H2,(H,14,15)
InChIKeyKMYHXOVMEIBQKB-UHFFFAOYSA-N
MW241.36 g/mol
LogP1.04
Rot. Bonds4

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

4-[[[2-(aminomethyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one (PubChem CID 106380214) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-[[[2-(aminomethyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[[[2-(aminomethyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one
PubChem CID106380214
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name4-[[[2-(aminomethyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one
SMILESNCC1CCCCC1NCc1csc(=O)[nH]1
InChIInChI=1S/C11H19N3OS/c12-5-8-3-1-2-4-10(8)13-6-9-7-16-11(15)14-9/h7-8,10,13H,1-6,12H2,(H,14,15)
InChIKeyKMYHXOVMEIBQKB-UHFFFAOYSA-N
XLogP1.04
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(aminomethyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[[[2-(aminomethyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one (CID 106380214) is 4-[[[2-(aminomethyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[[[2-(aminomethyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[[[2-(aminomethyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one is NCC1CCCCC1NCc1csc(=O)[nH]1.
What is the InChIKey of 4-[[[2-(aminomethyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is KMYHXOVMEIBQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c12-5-8-3-1-2-4-10(8)13-6-9-7-16-11(15)14-9/h7-8,10,13H,1-6,12H2,(H,14,15).
What are the key properties of 4-[[[2-(aminomethyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one?
4-[[[2-(aminomethyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 241.36 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(aminomethyl)cyclohexyl]amino]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 106380214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).