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

C17H24N4O2S — CID 154806225

IUPACtert-butyl N-[5-[[3-(1,3-thiazol-2-yl)propylamino]methyl]-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CNCCCc2nccs2)cn1
InChIInChI=1S/C17H24N4O2S/c1-17(2,3)23-16(22)21-14-7-6-13(12-20-14)11-18-8-4-5-15-19-9-10-24-15/h6-7,9-10,12,18H,4-5,8,11H2,1-3H3,(H,20,21,22)
InChIKeyVSEHANKFHBEXAV-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.61
Rot. Bonds7

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

tert-butyl N-[5-[[3-(1,3-thiazol-2-yl)propylamino]methyl]-2-pyridinyl]carbamate (PubChem CID 154806225) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is tert-butyl N-[5-[[3-(1,3-thiazol-2-yl)propylamino]methyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[[3-(1,3-thiazol-2-yl)propylamino]methyl]-2-pyridinyl]carbamate
PubChem CID154806225
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Nametert-butyl N-[5-[[3-(1,3-thiazol-2-yl)propylamino]methyl]-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CNCCCc2nccs2)cn1
InChIInChI=1S/C17H24N4O2S/c1-17(2,3)23-16(22)21-14-7-6-13(12-20-14)11-18-8-4-5-15-19-9-10-24-15/h6-7,9-10,12,18H,4-5,8,11H2,1-3H3,(H,20,21,22)
InChIKeyVSEHANKFHBEXAV-UHFFFAOYSA-N
XLogP3.61
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.61
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

tert-butyl N-[5-[(2-pyrrolidin-1-ylethylamino)methyl]-2-pyridinyl]carbamate
CID 150097350
tert-butyl N-[[4-[(1,3-thiazol-2-ylmethylamino)methyl]phenyl]methyl]carbamate
CID 107244277
tert-butyl N-[5-(2-aminoethyl)-2-pyridinyl]carbamate
CID 58882151
[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methylazanium
CID 42553117
2-diethoxyphosphoryl-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoic acid
CID 22036015
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-[3-[[5-(hydroxymethyl)-2-pyridinyl]amino]-3-oxopropyl]carbamate
CID 167767355
tert-butyl N-[[4-[(5-methyl-2-pyridinyl)carbamoyl]phenyl]methyl]carbamate
CID 17476260
tert-butyl N-[2-[[5-[[3-(diethylamino)propylamino]methyl]pyridine-2-carbonyl]amino]phenyl]carbamate
CID 59225232
tert-butyl N-[5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-2-pyridinyl]carbamate
CID 103823852
1-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methyl]-2-oxocyclopentane-1-carboxylic acid
CID 66886712
tert-butyl 2-diethoxyphosphoryl-3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]propanoate
CID 86600165

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[[3-(1,3-thiazol-2-yl)propylamino]methyl]-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-[[3-(1,3-thiazol-2-yl)propylamino]methyl]-2-pyridinyl]carbamate (CID 154806225) is tert-butyl N-[5-[[3-(1,3-thiazol-2-yl)propylamino]methyl]-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[[3-(1,3-thiazol-2-yl)propylamino]methyl]-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[[3-(1,3-thiazol-2-yl)propylamino]methyl]-2-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(CNCCCc2nccs2)cn1.
What is the InChIKey of tert-butyl N-[5-[[3-(1,3-thiazol-2-yl)propylamino]methyl]-2-pyridinyl]carbamate?
The InChIKey is VSEHANKFHBEXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-17(2,3)23-16(22)21-14-7-6-13(12-20-14)11-18-8-4-5-15-19-9-10-24-15/h6-7,9-10,12,18H,4-5,8,11H2,1-3H3,(H,20,21,22).
What are the key properties of tert-butyl N-[5-[[3-(1,3-thiazol-2-yl)propylamino]methyl]-2-pyridinyl]carbamate?
tert-butyl N-[5-[[3-(1,3-thiazol-2-yl)propylamino]methyl]-2-pyridinyl]carbamate has a molecular weight of 348.47 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[[3-(1,3-thiazol-2-yl)propylamino]methyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 154806225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).