tert-butyl N-[3-[(1,3-thiazol-2-ylmethylamino)methyl]pentan-3-yl]carbamate

C15H27N3O2S — CID 103714773

IUPACtert-butyl N-[3-[(1,3-thiazol-2-ylmethylamino)methyl]pentan-3-yl]carbamate
SMILESCCC(CC)(CNCc1nccs1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H27N3O2S/c1-6-15(7-2,18-13(19)20-14(3,4)5)11-16-10-12-17-8-9-21-12/h8-9,16H,6-7,10-11H2,1-5H3,(H,18,19)
InChIKeyVJJKTYHTSXDQEK-UHFFFAOYSA-N
MW313.47 g/mol
LogP3.32
Rot. Bonds7

About tert-butyl N-[3-[(1,3-thiazol-2-ylmethylamino)methyl]pentan-3-yl]carbamate

tert-butyl N-[3-[(1,3-thiazol-2-ylmethylamino)methyl]pentan-3-yl]carbamate (PubChem CID 103714773) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is tert-butyl N-[3-[(1,3-thiazol-2-ylmethylamino)methyl]pentan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(1,3-thiazol-2-ylmethylamino)methyl]pentan-3-yl]carbamate
PubChem CID103714773
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Nametert-butyl N-[3-[(1,3-thiazol-2-ylmethylamino)methyl]pentan-3-yl]carbamate
SMILESCCC(CC)(CNCc1nccs1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H27N3O2S/c1-6-15(7-2,18-13(19)20-14(3,4)5)11-16-10-12-17-8-9-21-12/h8-9,16H,6-7,10-11H2,1-5H3,(H,18,19)
InChIKeyVJJKTYHTSXDQEK-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-[[(5-bromothiophen-3-yl)methylamino]methyl]pentan-3-yl]carbamate
CID 107251602
tert-butyl N-[1-(1,3-thiazol-2-ylmethylamino)butan-2-yl]carbamate
CID 107250464
tert-butyl N-[[4-[(1,3-thiazol-2-ylmethylamino)methyl]phenyl]methyl]carbamate
CID 107244277
tert-butyl N-[3-[(2,2-dimethylpropylamino)methyl]pentan-3-yl]carbamate
CID 103714780
tert-butyl N-[3-[[(1-ethylpyrazol-4-yl)methylamino]methyl]pentan-3-yl]carbamate
CID 103714741
2,2-dimethyl-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 61326610
tert-butyl N-[3-[[(2,5-dichlorophenyl)methylamino]methyl]pentan-3-yl]carbamate
CID 114076155
tert-butyl N-[3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-yl]carbamate
CID 103787700
N-tert-butyl-2-(1,3-thiazol-2-ylmethylamino)acetamide
CID 78969112
2,2,3-trimethyl-1-N-(1,3-thiazol-2-ylmethyl)butane-1,3-diamine
CID 65266835
tert-butyl N-[3-[[[N'-methyl-N-(pyridin-2-ylmethyl)carbamimidoyl]amino]methyl]pentan-3-yl]carbamate;hydroiodide
CID 111770817
N-tert-butyl-3-(1,3-thiazol-2-ylmethylamino)propanamide
CID 115615772

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(1,3-thiazol-2-ylmethylamino)methyl]pentan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[3-[(1,3-thiazol-2-ylmethylamino)methyl]pentan-3-yl]carbamate (CID 103714773) is tert-butyl N-[3-[(1,3-thiazol-2-ylmethylamino)methyl]pentan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(1,3-thiazol-2-ylmethylamino)methyl]pentan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(1,3-thiazol-2-ylmethylamino)methyl]pentan-3-yl]carbamate is CCC(CC)(CNCc1nccs1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[(1,3-thiazol-2-ylmethylamino)methyl]pentan-3-yl]carbamate?
The InChIKey is VJJKTYHTSXDQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-6-15(7-2,18-13(19)20-14(3,4)5)11-16-10-12-17-8-9-21-12/h8-9,16H,6-7,10-11H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl N-[3-[(1,3-thiazol-2-ylmethylamino)methyl]pentan-3-yl]carbamate?
tert-butyl N-[3-[(1,3-thiazol-2-ylmethylamino)methyl]pentan-3-yl]carbamate has a molecular weight of 313.47 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(1,3-thiazol-2-ylmethylamino)methyl]pentan-3-yl]carbamate is sourced from PubChem (CID 103714773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).