1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-aminohexan-2-yl]carbamate

C11H19N3O2S — CID 59721266

IUPAC1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-aminohexan-2-yl]carbamate
SMILESC[C@H](CC[C@@H](C)N)NC(=O)OCc1cncs1
InChIInChI=1S/C11H19N3O2S/c1-8(12)3-4-9(2)14-11(15)16-6-10-5-13-7-17-10/h5,7-9H,3-4,6,12H2,1-2H3,(H,14,15)/t8-,9-/m1/s1
InChIKeyZZEMOGSZSBAMCC-RKDXNWHRSA-N
MW257.36 g/mol
LogP1.89
Rot. Bonds6

About 1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-aminohexan-2-yl]carbamate

1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-aminohexan-2-yl]carbamate (PubChem CID 59721266) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-aminohexan-2-yl]carbamate.

Molecular Properties

Compound Name1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-aminohexan-2-yl]carbamate
PubChem CID59721266
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-aminohexan-2-yl]carbamate
SMILESC[C@H](CC[C@@H](C)N)NC(=O)OCc1cncs1
InChIInChI=1S/C11H19N3O2S/c1-8(12)3-4-9(2)14-11(15)16-6-10-5-13-7-17-10/h5,7-9H,3-4,6,12H2,1-2H3,(H,14,15)/t8-,9-/m1/s1
InChIKeyZZEMOGSZSBAMCC-RKDXNWHRSA-N
XLogP1.89
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.89
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-[(2R,5R)-5-aminohexan-2-yl]carbamate?
The IUPAC name of 1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-aminohexan-2-yl]carbamate (CID 59721266) is 1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-aminohexan-2-yl]carbamate.
What is the SMILES notation for 1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-aminohexan-2-yl]carbamate?
The canonical SMILES for 1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-aminohexan-2-yl]carbamate is C[C@H](CC[C@@H](C)N)NC(=O)OCc1cncs1.
What is the InChIKey of 1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-aminohexan-2-yl]carbamate?
The InChIKey is ZZEMOGSZSBAMCC-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-8(12)3-4-9(2)14-11(15)16-6-10-5-13-7-17-10/h5,7-9H,3-4,6,12H2,1-2H3,(H,14,15)/t8-,9-/m1/s1.
What are the key properties of 1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-aminohexan-2-yl]carbamate?
1,3-thiazol-5-ylmethyl N-[(2R,5R)-5-aminohexan-2-yl]carbamate has a molecular weight of 257.36 g/mol, XLogP of 1.89, 6 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-[(2R,5R)-5-aminohexan-2-yl]carbamate is sourced from PubChem (CID 59721266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).