naphthalen-1-ylmethyl N-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl]carbamate

C23H29N3O3S — CID 10296143

IUPACnaphthalen-1-ylmethyl N-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl]carbamate
SMILESNC(C(=O)N1CCSC1)C1CCC(NC(=O)OCc2cccc3ccccc23)CC1
InChIInChI=1S/C23H29N3O3S/c24-21(22(27)26-12-13-30-15-26)17-8-10-19(11-9-17)25-23(28)29-14-18-6-3-5-16-4-1-2-7-20(16)18/h1-7,17,19,21H,8-15,24H2,(H,25,28)
InChIKeyKPULQFRFEHKYJN-UHFFFAOYSA-N
MW427.57 g/mol
LogP3.48
Rot. Bonds5

About naphthalen-1-ylmethyl N-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl]carbamate

naphthalen-1-ylmethyl N-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl]carbamate (PubChem CID 10296143) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is naphthalen-1-ylmethyl N-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl]carbamate.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl N-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl]carbamate
PubChem CID10296143
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC Namenaphthalen-1-ylmethyl N-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl]carbamate
SMILESNC(C(=O)N1CCSC1)C1CCC(NC(=O)OCc2cccc3ccccc23)CC1
InChIInChI=1S/C23H29N3O3S/c24-21(22(27)26-12-13-30-15-26)17-8-10-19(11-9-17)25-23(28)29-14-18-6-3-5-16-4-1-2-7-20(16)18/h1-7,17,19,21H,8-15,24H2,(H,25,28)
InChIKeyKPULQFRFEHKYJN-UHFFFAOYSA-N
XLogP3.48
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl N-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl]carbamate?
The IUPAC name of naphthalen-1-ylmethyl N-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl]carbamate (CID 10296143) is naphthalen-1-ylmethyl N-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl]carbamate.
What is the SMILES notation for naphthalen-1-ylmethyl N-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl]carbamate?
The canonical SMILES for naphthalen-1-ylmethyl N-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl]carbamate is NC(C(=O)N1CCSC1)C1CCC(NC(=O)OCc2cccc3ccccc23)CC1.
What is the InChIKey of naphthalen-1-ylmethyl N-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl]carbamate?
The InChIKey is KPULQFRFEHKYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c24-21(22(27)26-12-13-30-15-26)17-8-10-19(11-9-17)25-23(28)29-14-18-6-3-5-16-4-1-2-7-20(16)18/h1-7,17,19,21H,8-15,24H2,(H,25,28).
What are the key properties of naphthalen-1-ylmethyl N-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl]carbamate?
naphthalen-1-ylmethyl N-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl]carbamate has a molecular weight of 427.57 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethyl N-[4-[1-amino-2-oxo-2-(1,3-thiazolidin-3-yl)ethyl]cyclohexyl]carbamate is sourced from PubChem (CID 10296143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).