1,3-thiazol-5-ylmethyl N-[(3S,6S)-6-aminooctan-3-yl]carbamate

C13H23N3O2S — CID 59721291

IUPAC1,3-thiazol-5-ylmethyl N-[(3S,6S)-6-aminooctan-3-yl]carbamate
SMILESCC[C@H](N)CC[C@H](CC)NC(=O)OCc1cncs1
InChIInChI=1S/C13H23N3O2S/c1-3-10(14)5-6-11(4-2)16-13(17)18-8-12-7-15-9-19-12/h7,9-11H,3-6,8,14H2,1-2H3,(H,16,17)/t10-,11-/m0/s1
InChIKeyYNTVGFPWQJATON-QWRGUYRKSA-N
MW285.41 g/mol
LogP2.67
Rot. Bonds8

About 1,3-thiazol-5-ylmethyl N-[(3S,6S)-6-aminooctan-3-yl]carbamate

1,3-thiazol-5-ylmethyl N-[(3S,6S)-6-aminooctan-3-yl]carbamate (PubChem CID 59721291) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl N-[(3S,6S)-6-aminooctan-3-yl]carbamate.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethyl N-[(3S,6S)-6-aminooctan-3-yl]carbamate
PubChem CID59721291
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC Name1,3-thiazol-5-ylmethyl N-[(3S,6S)-6-aminooctan-3-yl]carbamate
SMILESCC[C@H](N)CC[C@H](CC)NC(=O)OCc1cncs1
InChIInChI=1S/C13H23N3O2S/c1-3-10(14)5-6-11(4-2)16-13(17)18-8-12-7-15-9-19-12/h7,9-11H,3-6,8,14H2,1-2H3,(H,16,17)/t10-,11-/m0/s1
InChIKeyYNTVGFPWQJATON-QWRGUYRKSA-N
XLogP2.67
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.67
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-[(3S,6S)-6-aminooctan-3-yl]carbamate?
The IUPAC name of 1,3-thiazol-5-ylmethyl N-[(3S,6S)-6-aminooctan-3-yl]carbamate (CID 59721291) is 1,3-thiazol-5-ylmethyl N-[(3S,6S)-6-aminooctan-3-yl]carbamate.
What is the SMILES notation for 1,3-thiazol-5-ylmethyl N-[(3S,6S)-6-aminooctan-3-yl]carbamate?
The canonical SMILES for 1,3-thiazol-5-ylmethyl N-[(3S,6S)-6-aminooctan-3-yl]carbamate is CC[C@H](N)CC[C@H](CC)NC(=O)OCc1cncs1.
What is the InChIKey of 1,3-thiazol-5-ylmethyl N-[(3S,6S)-6-aminooctan-3-yl]carbamate?
The InChIKey is YNTVGFPWQJATON-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-3-10(14)5-6-11(4-2)16-13(17)18-8-12-7-15-9-19-12/h7,9-11H,3-6,8,14H2,1-2H3,(H,16,17)/t10-,11-/m0/s1.
What are the key properties of 1,3-thiazol-5-ylmethyl N-[(3S,6S)-6-aminooctan-3-yl]carbamate?
1,3-thiazol-5-ylmethyl N-[(3S,6S)-6-aminooctan-3-yl]carbamate has a molecular weight of 285.41 g/mol, XLogP of 2.67, 8 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-[(3S,6S)-6-aminooctan-3-yl]carbamate is sourced from PubChem (CID 59721291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).