tert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentyl]carbamate

C15H27N3O2S — CID 107253580

IUPACtert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentyl]carbamate
SMILESCCCC(CNC(=O)OC(C)(C)C)NCc1cnc(C)s1
InChIInChI=1S/C15H27N3O2S/c1-6-7-12(8-18-14(19)20-15(3,4)5)17-10-13-9-16-11(2)21-13/h9,12,17H,6-8,10H2,1-5H3,(H,18,19)
InChIKeyPICSSUZCRDTTQD-UHFFFAOYSA-N
MW313.47 g/mol
LogP3.23
Rot. Bonds7

About tert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentyl]carbamate

tert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentyl]carbamate (PubChem CID 107253580) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentyl]carbamate
PubChem CID107253580
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Nametert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentyl]carbamate
SMILESCCCC(CNC(=O)OC(C)(C)C)NCc1cnc(C)s1
InChIInChI=1S/C15H27N3O2S/c1-6-7-12(8-18-14(19)20-15(3,4)5)17-10-13-9-16-11(2)21-13/h9,12,17H,6-8,10H2,1-5H3,(H,18,19)
InChIKeyPICSSUZCRDTTQD-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[(4-methyl-1,3-thiazol-5-yl)methylamino]pentyl]carbamate
CID 107253463
tert-butyl N-[3-methyl-2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]butyl]carbamate
CID 107442018
tert-butyl N-[3-[(2-methyl-1,3-thiazol-5-yl)methylamino]propyl]carbamate
CID 78943314
tert-butyl N-[2-[(3,5-dibromo-2-pyridinyl)methylamino]pentyl]carbamate
CID 107253827
tert-butyl N-[2-[(3-propylimidazol-4-yl)methylamino]pentyl]carbamate
CID 107253763
tert-butyl N-[2-[(6-methyl-3-pyridinyl)methylamino]hexyl]carbamate
CID 104756511
tert-butyl N-[2-[(3-fluorophenyl)methylamino]pentyl]carbamate
CID 107253789
tert-butyl N-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]hexyl]carbamate
CID 103753203
tert-butyl N-[2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]pentyl]carbamate
CID 107253581
tert-butyl N-[2-[(4-fluoro-3-methylphenyl)methylamino]pentyl]carbamate
CID 107253853
tert-butyl N-[2-[(1-methylpyrrol-3-yl)methylamino]pentyl]carbamate
CID 107253653
tert-butyl N-[2-(2-ethylbutylamino)pentyl]carbamate
CID 107253795

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentyl]carbamate (CID 107253580) is tert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentyl]carbamate is CCCC(CNC(=O)OC(C)(C)C)NCc1cnc(C)s1.
What is the InChIKey of tert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentyl]carbamate?
The InChIKey is PICSSUZCRDTTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-6-7-12(8-18-14(19)20-15(3,4)5)17-10-13-9-16-11(2)21-13/h9,12,17H,6-8,10H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentyl]carbamate?
tert-butyl N-[2-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentyl]carbamate has a molecular weight of 313.47 g/mol, XLogP of 3.23, 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-[(2-methyl-1,3-thiazol-5-yl)methylamino]pentyl]carbamate is sourced from PubChem (CID 107253580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).