[4-[[5-(aminomethyl)-1,3-thiazol-2-yl]methyl]cyclohexyl] carbamate

C12H19N3O2S — CID 134349841

IUPAC[4-[[5-(aminomethyl)-1,3-thiazol-2-yl]methyl]cyclohexyl] carbamate
SMILESNCc1cnc(CC2CCC(OC(N)=O)CC2)s1
InChIInChI=1S/C12H19N3O2S/c13-6-10-7-15-11(18-10)5-8-1-3-9(4-2-8)17-12(14)16/h7-9H,1-6,13H2,(H2,14,16)
InChIKeyYEDQNKARHQSRCV-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.80
Rot. Bonds4

About [4-[[5-(aminomethyl)-1,3-thiazol-2-yl]methyl]cyclohexyl] carbamate

[4-[[5-(aminomethyl)-1,3-thiazol-2-yl]methyl]cyclohexyl] carbamate (PubChem CID 134349841) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is [4-[[5-(aminomethyl)-1,3-thiazol-2-yl]methyl]cyclohexyl] carbamate.

Molecular Properties

Compound Name[4-[[5-(aminomethyl)-1,3-thiazol-2-yl]methyl]cyclohexyl] carbamate
PubChem CID134349841
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name[4-[[5-(aminomethyl)-1,3-thiazol-2-yl]methyl]cyclohexyl] carbamate
SMILESNCc1cnc(CC2CCC(OC(N)=O)CC2)s1
InChIInChI=1S/C12H19N3O2S/c13-6-10-7-15-11(18-10)5-8-1-3-9(4-2-8)17-12(14)16/h7-9H,1-6,13H2,(H2,14,16)
InChIKeyYEDQNKARHQSRCV-UHFFFAOYSA-N
XLogP1.80
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[5-(aminomethyl)-1,3-thiazol-2-yl]methyl]cyclohexyl] carbamate?
The IUPAC name of [4-[[5-(aminomethyl)-1,3-thiazol-2-yl]methyl]cyclohexyl] carbamate (CID 134349841) is [4-[[5-(aminomethyl)-1,3-thiazol-2-yl]methyl]cyclohexyl] carbamate.
What is the SMILES notation for [4-[[5-(aminomethyl)-1,3-thiazol-2-yl]methyl]cyclohexyl] carbamate?
The canonical SMILES for [4-[[5-(aminomethyl)-1,3-thiazol-2-yl]methyl]cyclohexyl] carbamate is NCc1cnc(CC2CCC(OC(N)=O)CC2)s1.
What is the InChIKey of [4-[[5-(aminomethyl)-1,3-thiazol-2-yl]methyl]cyclohexyl] carbamate?
The InChIKey is YEDQNKARHQSRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c13-6-10-7-15-11(18-10)5-8-1-3-9(4-2-8)17-12(14)16/h7-9H,1-6,13H2,(H2,14,16).
What are the key properties of [4-[[5-(aminomethyl)-1,3-thiazol-2-yl]methyl]cyclohexyl] carbamate?
[4-[[5-(aminomethyl)-1,3-thiazol-2-yl]methyl]cyclohexyl] carbamate has a molecular weight of 269.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(aminomethyl)-1,3-thiazol-2-yl]methyl]cyclohexyl] carbamate is sourced from PubChem (CID 134349841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).