tert-butyl N-decan-3-yl-N-(1,3-thiazol-5-yl)carbamate

C18H32N2O2S — CID 175287740

IUPACtert-butyl N-decan-3-yl-N-(1,3-thiazol-5-yl)carbamate
SMILESCCCCCCCC(CC)N(C(=O)OC(C)(C)C)c1cncs1
InChIInChI=1S/C18H32N2O2S/c1-6-8-9-10-11-12-15(7-2)20(16-13-19-14-23-16)17(21)22-18(3,4)5/h13-15H,6-12H2,1-5H3
InChIKeyLVTDOCFLORGDQU-UHFFFAOYSA-N
MW340.53 g/mol
LogP6.02
Rot. Bonds9

About tert-butyl N-decan-3-yl-N-(1,3-thiazol-5-yl)carbamate

tert-butyl N-decan-3-yl-N-(1,3-thiazol-5-yl)carbamate (PubChem CID 175287740) has the molecular formula C18H32N2O2S and a molecular weight of 340.53 g/mol. Its IUPAC name is tert-butyl N-decan-3-yl-N-(1,3-thiazol-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-decan-3-yl-N-(1,3-thiazol-5-yl)carbamate
PubChem CID175287740
Molecular FormulaC18H32N2O2S
Molecular Weight340.53 g/mol
Exact Mass340.22
IUPAC Nametert-butyl N-decan-3-yl-N-(1,3-thiazol-5-yl)carbamate
SMILESCCCCCCCC(CC)N(C(=O)OC(C)(C)C)c1cncs1
InChIInChI=1S/C18H32N2O2S/c1-6-8-9-10-11-12-15(7-2)20(16-13-19-14-23-16)17(21)22-18(3,4)5/h13-15H,6-12H2,1-5H3
InChIKeyLVTDOCFLORGDQU-UHFFFAOYSA-N
XLogP6.02
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.53
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-amino-N-nonan-3-ylcarbamate
CID 175727450
ethyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(1,3-thiazol-5-yl)amino]acetate
CID 22135000
ethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonyl-pyrimidin-5-ylamino]propanoate
CID 154665114
tert-butyl N-dodecyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 89457667
tert-butyl N-nonan-4-yl-N-(2-oxoethyl)carbamate
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tert-butyl 2-ethylnonanoate;ethane
CID 175268802
tert-butyl (2R)-2-bromoundecanoate
CID 139709166
tert-butyl nonadecan-10-yl carbonate
CID 176728212
tert-butyl N-[2-[[(2-methylpropan-2-yl)oxycarbonyl-pentylamino]methyl]nonyl]-N-pentylcarbamate
CID 142044544
tert-butyl 2-butyloctanoate
CID 141041345
tert-butyl N-ethyl-N-[2-[1-(1,3-thiazol-5-yl)ethylamino]ethyl]carbamate
CID 103780681
tert-butyl N-hexyl-N-phenylcarbamate
CID 135064745

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-decan-3-yl-N-(1,3-thiazol-5-yl)carbamate?
The IUPAC name of tert-butyl N-decan-3-yl-N-(1,3-thiazol-5-yl)carbamate (CID 175287740) is tert-butyl N-decan-3-yl-N-(1,3-thiazol-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-decan-3-yl-N-(1,3-thiazol-5-yl)carbamate?
The canonical SMILES for tert-butyl N-decan-3-yl-N-(1,3-thiazol-5-yl)carbamate is CCCCCCCC(CC)N(C(=O)OC(C)(C)C)c1cncs1.
What is the InChIKey of tert-butyl N-decan-3-yl-N-(1,3-thiazol-5-yl)carbamate?
The InChIKey is LVTDOCFLORGDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O2S/c1-6-8-9-10-11-12-15(7-2)20(16-13-19-14-23-16)17(21)22-18(3,4)5/h13-15H,6-12H2,1-5H3.
What are the key properties of tert-butyl N-decan-3-yl-N-(1,3-thiazol-5-yl)carbamate?
tert-butyl N-decan-3-yl-N-(1,3-thiazol-5-yl)carbamate has a molecular weight of 340.53 g/mol, XLogP of 6.02, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-decan-3-yl-N-(1,3-thiazol-5-yl)carbamate is sourced from PubChem (CID 175287740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).