tert-butyl N-[3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-yl]carbamate

C16H29N3O2S — CID 103787700

IUPACtert-butyl N-[3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-yl]carbamate
SMILESCCC(CC)(CNC(C)c1cncs1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H29N3O2S/c1-7-16(8-2,19-14(20)21-15(4,5)6)10-18-12(3)13-9-17-11-22-13/h9,11-12,18H,7-8,10H2,1-6H3,(H,19,20)
InChIKeyLOVCDTKXLZGYOG-UHFFFAOYSA-N
MW327.49 g/mol
LogP3.88
Rot. Bonds7

About tert-butyl N-[3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-yl]carbamate

tert-butyl N-[3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-yl]carbamate (PubChem CID 103787700) has the molecular formula C16H29N3O2S and a molecular weight of 327.49 g/mol. Its IUPAC name is tert-butyl N-[3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-yl]carbamate
PubChem CID103787700
Molecular FormulaC16H29N3O2S
Molecular Weight327.49 g/mol
Exact Mass327.20
IUPAC Nametert-butyl N-[3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-yl]carbamate
SMILESCCC(CC)(CNC(C)c1cncs1)NC(=O)OC(C)(C)C
InChIInChI=1S/C16H29N3O2S/c1-7-16(8-2,19-14(20)21-15(4,5)6)10-18-12(3)13-9-17-11-22-13/h9,11-12,18H,7-8,10H2,1-6H3,(H,19,20)
InChIKeyLOVCDTKXLZGYOG-UHFFFAOYSA-N
XLogP3.88
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[(E)-4-[1-(1,3-thiazol-5-yl)ethylamino]but-2-enyl]carbamate
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tert-butyl N-[3-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]pentan-3-yl]carbamate
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3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-ol
CID 115714735
tert-butyl N-[1-cyclopropyl-2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate
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tert-butyl N-ethyl-N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate
CID 103780681
2-[[2-ethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]propanoic acid
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tert-butyl N-[3-[(1,3-thiazol-2-ylmethylamino)methyl]pentan-3-yl]carbamate
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N,N,2,2-tetramethyl-N'-[1-(1,3-thiazol-5-yl)ethyl]propane-1,3-diamine
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tert-butyl 3-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]pyrrolidine-1-carboxylate
CID 103782472
N,N-diethyl-2-[1-(1,3-thiazol-5-yl)ethylamino]acetamide
CID 115712604
1-pyrrolidin-1-yl-3-[1-(1,3-thiazol-5-yl)ethylamino]propan-1-one
CID 115707088
tert-butyl N-[3-[(2,2-dimethylpropylamino)methyl]pentan-3-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-yl]carbamate (CID 103787700) is tert-butyl N-[3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-yl]carbamate is CCC(CC)(CNC(C)c1cncs1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-yl]carbamate?
The InChIKey is LOVCDTKXLZGYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2S/c1-7-16(8-2,19-14(20)21-15(4,5)6)10-18-12(3)13-9-17-11-22-13/h9,11-12,18H,7-8,10H2,1-6H3,(H,19,20).
What are the key properties of tert-butyl N-[3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-yl]carbamate?
tert-butyl N-[3-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-yl]carbamate has a molecular weight of 327.49 g/mol, XLogP of 3.88, 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-(1,3-thiazol-5-yl)ethylamino]methyl]pentan-3-yl]carbamate is sourced from PubChem (CID 103787700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).