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

C15H27N3O2S — CID 107253798

IUPACtert-butyl N-[2-[1-(1,3-thiazol-2-yl)ethylamino]pentyl]carbamate
SMILESCCCC(CNC(=O)OC(C)(C)C)NC(C)c1nccs1
InChIInChI=1S/C15H27N3O2S/c1-6-7-12(10-17-14(19)20-15(3,4)5)18-11(2)13-16-8-9-21-13/h8-9,11-12,18H,6-7,10H2,1-5H3,(H,17,19)
InChIKeyHNNAKLCDPAUUGC-UHFFFAOYSA-N
MW313.47 g/mol
LogP3.49
Rot. Bonds7

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

tert-butyl N-[2-[1-(1,3-thiazol-2-yl)ethylamino]pentyl]carbamate (PubChem CID 107253798) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(1,3-thiazol-2-yl)ethylamino]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(1,3-thiazol-2-yl)ethylamino]pentyl]carbamate
PubChem CID107253798
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Nametert-butyl N-[2-[1-(1,3-thiazol-2-yl)ethylamino]pentyl]carbamate
SMILESCCCC(CNC(=O)OC(C)(C)C)NC(C)c1nccs1
InChIInChI=1S/C15H27N3O2S/c1-6-7-12(10-17-14(19)20-15(3,4)5)18-11(2)13-16-8-9-21-13/h8-9,11-12,18H,6-7,10H2,1-5H3,(H,17,19)
InChIKeyHNNAKLCDPAUUGC-UHFFFAOYSA-N
XLogP3.49
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[1-(1,3-thiazol-2-yl)ethylamino]propyl]carbamate
CID 103390074
tert-butyl N-[2-cyclopropyl-2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]carbamate
CID 103898794
tert-butyl N-[2-(1-pyridin-3-ylethylamino)pentyl]carbamate
CID 107253837
tert-butyl N-[2-[1-(4-hydroxyphenyl)ethylamino]pentyl]carbamate
CID 107253639
tert-butyl N-[3-hydroxy-3-(1,3-thiazol-2-yl)propyl]carbamate
CID 70144327
tert-butyl N-[1-(1,3-thiazol-2-yl)ethylamino]carbamate
CID 107237311
tert-butyl N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pentyl]carbamate
CID 107253757
tert-butyl N-[2-(1-thiophen-2-ylpropylamino)pentyl]carbamate
CID 107253496
tert-butyl N-[2-[1-(2-fluorophenyl)ethylamino]pentyl]carbamate
CID 107253634
tert-butyl N-[[3-[1-(1,3-thiazol-2-yl)ethylamino]phenyl]methyl]carbamate
CID 103936431
tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate
CID 107248426
tert-butyl N-[1-(1,3-thiazol-2-yl)propyl]carbamate
CID 64688740

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(1,3-thiazol-2-yl)ethylamino]pentyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(1,3-thiazol-2-yl)ethylamino]pentyl]carbamate (CID 107253798) is tert-butyl N-[2-[1-(1,3-thiazol-2-yl)ethylamino]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(1,3-thiazol-2-yl)ethylamino]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(1,3-thiazol-2-yl)ethylamino]pentyl]carbamate is CCCC(CNC(=O)OC(C)(C)C)NC(C)c1nccs1.
What is the InChIKey of tert-butyl N-[2-[1-(1,3-thiazol-2-yl)ethylamino]pentyl]carbamate?
The InChIKey is HNNAKLCDPAUUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-6-7-12(10-17-14(19)20-15(3,4)5)18-11(2)13-16-8-9-21-13/h8-9,11-12,18H,6-7,10H2,1-5H3,(H,17,19).
What are the key properties of tert-butyl N-[2-[1-(1,3-thiazol-2-yl)ethylamino]pentyl]carbamate?
tert-butyl N-[2-[1-(1,3-thiazol-2-yl)ethylamino]pentyl]carbamate has a molecular weight of 313.47 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(1,3-thiazol-2-yl)ethylamino]pentyl]carbamate is sourced from PubChem (CID 107253798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).