propan-2-yl N-tert-butyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate

C17H29BN2O4S — CID 140965540

IUPACpropan-2-yl N-tert-butyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate
SMILESCC(C)OC(=O)N(c1ncc(B2OC(C)(C)C(C)(C)O2)s1)C(C)(C)C
InChIInChI=1S/C17H29BN2O4S/c1-11(2)22-14(21)20(15(3,4)5)13-19-10-12(25-13)18-23-16(6,7)17(8,9)24-18/h10-11H,1-9H3
InChIKeyCINBSEDTESZHKD-UHFFFAOYSA-N
MW368.31 g/mol
LogP3.59
Rot. Bonds3

About propan-2-yl N-tert-butyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate

propan-2-yl N-tert-butyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate (PubChem CID 140965540) has the molecular formula C17H29BN2O4S and a molecular weight of 368.31 g/mol. Its IUPAC name is propan-2-yl N-tert-butyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-tert-butyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate
PubChem CID140965540
Molecular FormulaC17H29BN2O4S
Molecular Weight368.31 g/mol
Exact Mass368.19
IUPAC Namepropan-2-yl N-tert-butyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate
SMILESCC(C)OC(=O)N(c1ncc(B2OC(C)(C)C(C)(C)O2)s1)C(C)(C)C
InChIInChI=1S/C17H29BN2O4S/c1-11(2)22-14(21)20(15(3,4)5)13-19-10-12(25-13)18-23-16(6,7)17(8,9)24-18/h10-11H,1-9H3
InChIKeyCINBSEDTESZHKD-UHFFFAOYSA-N
XLogP3.59
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-tert-butyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate?
The IUPAC name of propan-2-yl N-tert-butyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate (CID 140965540) is propan-2-yl N-tert-butyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for propan-2-yl N-tert-butyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for propan-2-yl N-tert-butyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate is CC(C)OC(=O)N(c1ncc(B2OC(C)(C)C(C)(C)O2)s1)C(C)(C)C.
What is the InChIKey of propan-2-yl N-tert-butyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate?
The InChIKey is CINBSEDTESZHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29BN2O4S/c1-11(2)22-14(21)20(15(3,4)5)13-19-10-12(25-13)18-23-16(6,7)17(8,9)24-18/h10-11H,1-9H3.
What are the key properties of propan-2-yl N-tert-butyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate?
propan-2-yl N-tert-butyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate has a molecular weight of 368.31 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-tert-butyl-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 140965540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).