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

C10H15N5O2S — CID 167276246

IUPACtert-butyl N-[[5-(azidomethyl)-1,3-thiazol-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ncc(CN=[N+]=[N-])s1
InChIInChI=1S/C10H15N5O2S/c1-10(2,3)17-9(16)13-6-8-12-4-7(18-8)5-14-15-11/h4H,5-6H2,1-3H3,(H,13,16)
InChIKeyBCNQTNDGKQBFAG-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.98
Rot. Bonds4

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

tert-butyl N-[[5-(azidomethyl)-1,3-thiazol-2-yl]methyl]carbamate (PubChem CID 167276246) has the molecular formula C10H15N5O2S and a molecular weight of 269.33 g/mol. Its IUPAC name is tert-butyl N-[[5-(azidomethyl)-1,3-thiazol-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-(azidomethyl)-1,3-thiazol-2-yl]methyl]carbamate
PubChem CID167276246
Molecular FormulaC10H15N5O2S
Molecular Weight269.33 g/mol
Exact Mass269.09
IUPAC Nametert-butyl N-[[5-(azidomethyl)-1,3-thiazol-2-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ncc(CN=[N+]=[N-])s1
InChIInChI=1S/C10H15N5O2S/c1-10(2,3)17-9(16)13-6-8-12-4-7(18-8)5-14-15-11/h4H,5-6H2,1-3H3,(H,13,16)
InChIKeyBCNQTNDGKQBFAG-UHFFFAOYSA-N
XLogP2.98
TPSA99.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[[4-(azidomethyl)phenyl]methyl]carbamate
CID 150442768
tert-butyl N-[[5-[(Z)-N'-hydroxycarbamimidoyl]-1,3-thiazol-2-yl]methyl]carbamate
CID 163225686
tert-butyl N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]carbamate
CID 133059461
tert-butyl N-[[2-(5-ethyl-1,3-thiazol-2-yl)-1,3-thiazol-5-yl]methyl]carbamate
CID 158874937
tert-butyl N-[[5-[3-(4-methylphenyl)-5-methylsulfanylphenyl]sulfanyl-1,3-thiazol-2-yl]methyl]carbamate
CID 130358550
3-[2-[[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazole-5-carbonyl]amino]ethyldisulfanyl]propanoic acid
CID 166424930
tert-butyl N-[4-[(2-ethyl-1,3-thiazol-5-yl)methylamino]cyclohexyl]carbamate
CID 103741068
tert-butyl N-[[2-(1-methylpyrazol-3-yl)-1,3-thiazol-5-yl]methyl]carbamate
CID 126719888
tert-butyl N-[[5-[3-(4-methylphenyl)-4-methylsulfanylphenyl]sulfanyl-1,3-thiazol-2-yl]methyl]carbamate
CID 130358215
tert-butyl N-(pyrazin-2-ylmethyl)carbamate
CID 66970536
tert-butyl N-[[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]methyl]carbamate
CID 121478558
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazole-5-carboxylic acid
CID 170910216

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-(azidomethyl)-1,3-thiazol-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-(azidomethyl)-1,3-thiazol-2-yl]methyl]carbamate (CID 167276246) is tert-butyl N-[[5-(azidomethyl)-1,3-thiazol-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-(azidomethyl)-1,3-thiazol-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-(azidomethyl)-1,3-thiazol-2-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1ncc(CN=[N+]=[N-])s1.
What is the InChIKey of tert-butyl N-[[5-(azidomethyl)-1,3-thiazol-2-yl]methyl]carbamate?
The InChIKey is BCNQTNDGKQBFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S/c1-10(2,3)17-9(16)13-6-8-12-4-7(18-8)5-14-15-11/h4H,5-6H2,1-3H3,(H,13,16).
What are the key properties of tert-butyl N-[[5-(azidomethyl)-1,3-thiazol-2-yl]methyl]carbamate?
tert-butyl N-[[5-(azidomethyl)-1,3-thiazol-2-yl]methyl]carbamate has a molecular weight of 269.33 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-(azidomethyl)-1,3-thiazol-2-yl]methyl]carbamate is sourced from PubChem (CID 167276246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).