tert-butyl N-[(1R,2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclohexyl]carbamate

C16H27N3O2S — CID 75441287

IUPACtert-butyl N-[(1R,2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclohexyl]carbamate
SMILESCC(N[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)c1nccs1
InChIInChI=1S/C16H27N3O2S/c1-11(14-17-9-10-22-14)18-12-7-5-6-8-13(12)19-15(20)21-16(2,3)4/h9-13,18H,5-8H2,1-4H3,(H,19,20)/t11?,12-,13-/m1/s1
InChIKeyYQYRVPITMPBLEN-VFRRUGBOSA-N
MW325.48 g/mol
LogP3.63
Rot. Bonds4

About tert-butyl N-[(1R,2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclohexyl]carbamate

tert-butyl N-[(1R,2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclohexyl]carbamate (PubChem CID 75441287) has the molecular formula C16H27N3O2S and a molecular weight of 325.48 g/mol. Its IUPAC name is tert-butyl N-[(1R,2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclohexyl]carbamate
PubChem CID75441287
Molecular FormulaC16H27N3O2S
Molecular Weight325.48 g/mol
Exact Mass325.18
IUPAC Nametert-butyl N-[(1R,2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclohexyl]carbamate
SMILESCC(N[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)c1nccs1
InChIInChI=1S/C16H27N3O2S/c1-11(14-17-9-10-22-14)18-12-7-5-6-8-13(12)19-15(20)21-16(2,3)4/h9-13,18H,5-8H2,1-4H3,(H,19,20)/t11?,12-,13-/m1/s1
InChIKeyYQYRVPITMPBLEN-VFRRUGBOSA-N
XLogP3.63
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl N-[1-(1,3-thiazol-2-yl)ethylamino]carbamate
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tert-butyl N-[[(2R)-1-[(1R)-1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-2-yl]methyl]carbamate
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tert-butyl N-[2-cyclopropyl-2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]carbamate
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tert-butyl N-[[(2S)-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrrolidin-2-yl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclohexyl]carbamate (CID 75441287) is tert-butyl N-[(1R,2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclohexyl]carbamate is CC(N[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C)c1nccs1.
What is the InChIKey of tert-butyl N-[(1R,2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclohexyl]carbamate?
The InChIKey is YQYRVPITMPBLEN-VFRRUGBOSA-N. The full InChI is InChI=1S/C16H27N3O2S/c1-11(14-17-9-10-22-14)18-12-7-5-6-8-13(12)19-15(20)21-16(2,3)4/h9-13,18H,5-8H2,1-4H3,(H,19,20)/t11?,12-,13-/m1/s1.
What are the key properties of tert-butyl N-[(1R,2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclohexyl]carbamate?
tert-butyl N-[(1R,2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclohexyl]carbamate has a molecular weight of 325.48 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2R)-2-[1-(1,3-thiazol-2-yl)ethylamino]cyclohexyl]carbamate is sourced from PubChem (CID 75441287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).