tert-butyl N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]carbamate

C18H26N4O2S — CID 54277213

IUPACtert-butyl N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCNc1nc(-c2ccccn2)cs1
InChIInChI=1S/C18H26N4O2S/c1-18(2,3)24-17(23)21-12-7-4-6-11-20-16-22-15(13-25-16)14-9-5-8-10-19-14/h5,8-10,13H,4,6-7,11-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyROFVEQHAKQWIFH-UHFFFAOYSA-N
MW362.50 g/mol
LogP4.31
Rot. Bonds8

About tert-butyl N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]carbamate

tert-butyl N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]carbamate (PubChem CID 54277213) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is tert-butyl N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]carbamate
PubChem CID54277213
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Nametert-butyl N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCNc1nc(-c2ccccn2)cs1
InChIInChI=1S/C18H26N4O2S/c1-18(2,3)24-17(23)21-12-7-4-6-11-20-16-22-15(13-25-16)14-9-5-8-10-19-14/h5,8-10,13H,4,6-7,11-12H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyROFVEQHAKQWIFH-UHFFFAOYSA-N
XLogP4.31
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(4-pyridin-2-yl-1,3-thiazol-2-yl)pentane-1,5-diamine
CID 18440299
tert-butyl N-[1-oxo-3-phenyl-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate
CID 108766685
methyl N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]carbamate
CID 110317565
tert-butyl N-[4-methylsulfanyl-1-oxo-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]butan-2-yl]carbamate
CID 108766684
tert-butyl N-[6-(pyridin-2-ylmethylamino)hexyl]carbamate
CID 58185123
5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl 3-pyridin-2-yl-1H-pyrazole-5-carboxylate
CID 176549664
tert-butyl N-[(4-pyridin-2-ylpyrimidin-2-yl)methyl]carbamate
CID 66523268
tert-butyl N-[3-(1-methylindol-3-yl)-1-oxo-1-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate
CID 121240811
N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]cyclohexanesulfonamide
CID 57392816
tert-butyl N-[(5S)-5-amino-6-oxo-6-[(4-phenyl-1,3-thiazol-2-yl)amino]hexyl]carbamate
CID 156819595
tert-butyl N-[4-(pyridin-2-ylmethylamino)butyl]carbamate
CID 142416682
4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl-tripyridin-2-ylphosphanium
CID 159133812

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]carbamate?
The IUPAC name of tert-butyl N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]carbamate (CID 54277213) is tert-butyl N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]carbamate is CC(C)(C)OC(=O)NCCCCCNc1nc(-c2ccccn2)cs1.
What is the InChIKey of tert-butyl N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]carbamate?
The InChIKey is ROFVEQHAKQWIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-18(2,3)24-17(23)21-12-7-4-6-11-20-16-22-15(13-25-16)14-9-5-8-10-19-14/h5,8-10,13H,4,6-7,11-12H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of tert-butyl N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]carbamate?
tert-butyl N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]carbamate has a molecular weight of 362.50 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]pentyl]carbamate is sourced from PubChem (CID 54277213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).