1,3-thiazol-5-ylmethyl N-(5-amino-1,6-diphenylhexan-2-yl)carbamate

C23H27N3O2S — CID 19968662

IUPAC1,3-thiazol-5-ylmethyl N-(5-amino-1,6-diphenylhexan-2-yl)carbamate
SMILESNC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1
InChIInChI=1S/C23H27N3O2S/c24-20(13-18-7-3-1-4-8-18)11-12-21(14-19-9-5-2-6-10-19)26-23(27)28-16-22-15-25-17-29-22/h1-10,15,17,20-21H,11-14,16,24H2,(H,26,27)
InChIKeyNDRGYGLCIPEVCJ-UHFFFAOYSA-N
MW409.56 g/mol
LogP4.33
Rot. Bonds10

About 1,3-thiazol-5-ylmethyl N-(5-amino-1,6-diphenylhexan-2-yl)carbamate

1,3-thiazol-5-ylmethyl N-(5-amino-1,6-diphenylhexan-2-yl)carbamate (PubChem CID 19968662) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl N-(5-amino-1,6-diphenylhexan-2-yl)carbamate.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethyl N-(5-amino-1,6-diphenylhexan-2-yl)carbamate
PubChem CID19968662
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC Name1,3-thiazol-5-ylmethyl N-(5-amino-1,6-diphenylhexan-2-yl)carbamate
SMILESNC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1
InChIInChI=1S/C23H27N3O2S/c24-20(13-18-7-3-1-4-8-18)11-12-21(14-19-9-5-2-6-10-19)26-23(27)28-16-22-15-25-17-29-22/h1-10,15,17,20-21H,11-14,16,24H2,(H,26,27)
InChIKeyNDRGYGLCIPEVCJ-UHFFFAOYSA-N
XLogP4.33
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-5-ylmethyl N-(5-amino-1,6-diphenylhexan-2-yl)carbamate?
The IUPAC name of 1,3-thiazol-5-ylmethyl N-(5-amino-1,6-diphenylhexan-2-yl)carbamate (CID 19968662) is 1,3-thiazol-5-ylmethyl N-(5-amino-1,6-diphenylhexan-2-yl)carbamate.
What is the SMILES notation for 1,3-thiazol-5-ylmethyl N-(5-amino-1,6-diphenylhexan-2-yl)carbamate?
The canonical SMILES for 1,3-thiazol-5-ylmethyl N-(5-amino-1,6-diphenylhexan-2-yl)carbamate is NC(CCC(Cc1ccccc1)NC(=O)OCc1cncs1)Cc1ccccc1.
What is the InChIKey of 1,3-thiazol-5-ylmethyl N-(5-amino-1,6-diphenylhexan-2-yl)carbamate?
The InChIKey is NDRGYGLCIPEVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S/c24-20(13-18-7-3-1-4-8-18)11-12-21(14-19-9-5-2-6-10-19)26-23(27)28-16-22-15-25-17-29-22/h1-10,15,17,20-21H,11-14,16,24H2,(H,26,27).
What are the key properties of 1,3-thiazol-5-ylmethyl N-(5-amino-1,6-diphenylhexan-2-yl)carbamate?
1,3-thiazol-5-ylmethyl N-(5-amino-1,6-diphenylhexan-2-yl)carbamate has a molecular weight of 409.56 g/mol, XLogP of 4.33, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-5-ylmethyl N-(5-amino-1,6-diphenylhexan-2-yl)carbamate is sourced from PubChem (CID 19968662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).