tert-butyl N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxyethyl]-N-[(2R)-1-hydroxypropan-2-yl]carbamate

C17H30N2O4S — CID 177329083

IUPACtert-butyl N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxyethyl]-N-[(2R)-1-hydroxypropan-2-yl]carbamate
SMILESC[C@H](CO)N(CC(O)c1nc(C(C)(C)C)cs1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H30N2O4S/c1-11(9-20)19(15(22)23-17(5,6)7)8-12(21)14-18-13(10-24-14)16(2,3)4/h10-12,20-21H,8-9H2,1-7H3/t11-,12?/m1/s1
InChIKeyCDUICOPZTNZPGJ-JHJMLUEUSA-N
MW358.50 g/mol
LogP3.09
Rot. Bonds5

About tert-butyl N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxyethyl]-N-[(2R)-1-hydroxypropan-2-yl]carbamate

tert-butyl N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxyethyl]-N-[(2R)-1-hydroxypropan-2-yl]carbamate (PubChem CID 177329083) has the molecular formula C17H30N2O4S and a molecular weight of 358.50 g/mol. Its IUPAC name is tert-butyl N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxyethyl]-N-[(2R)-1-hydroxypropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxyethyl]-N-[(2R)-1-hydroxypropan-2-yl]carbamate
PubChem CID177329083
Molecular FormulaC17H30N2O4S
Molecular Weight358.50 g/mol
Exact Mass358.19
IUPAC Nametert-butyl N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxyethyl]-N-[(2R)-1-hydroxypropan-2-yl]carbamate
SMILESC[C@H](CO)N(CC(O)c1nc(C(C)(C)C)cs1)C(=O)OC(C)(C)C
InChIInChI=1S/C17H30N2O4S/c1-11(9-20)19(15(22)23-17(5,6)7)8-12(21)14-18-13(10-24-14)16(2,3)4/h10-12,20-21H,8-9H2,1-7H3/t11-,12?/m1/s1
InChIKeyCDUICOPZTNZPGJ-JHJMLUEUSA-N
XLogP3.09
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.50
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxyethyl]-N-[(2R)-1-hydroxypropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxyethyl]-N-[(2R)-1-hydroxypropan-2-yl]carbamate (CID 177329083) is tert-butyl N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxyethyl]-N-[(2R)-1-hydroxypropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxyethyl]-N-[(2R)-1-hydroxypropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxyethyl]-N-[(2R)-1-hydroxypropan-2-yl]carbamate is C[C@H](CO)N(CC(O)c1nc(C(C)(C)C)cs1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxyethyl]-N-[(2R)-1-hydroxypropan-2-yl]carbamate?
The InChIKey is CDUICOPZTNZPGJ-JHJMLUEUSA-N. The full InChI is InChI=1S/C17H30N2O4S/c1-11(9-20)19(15(22)23-17(5,6)7)8-12(21)14-18-13(10-24-14)16(2,3)4/h10-12,20-21H,8-9H2,1-7H3/t11-,12?/m1/s1.
What are the key properties of tert-butyl N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxyethyl]-N-[(2R)-1-hydroxypropan-2-yl]carbamate?
tert-butyl N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxyethyl]-N-[(2R)-1-hydroxypropan-2-yl]carbamate has a molecular weight of 358.50 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxyethyl]-N-[(2R)-1-hydroxypropan-2-yl]carbamate is sourced from PubChem (CID 177329083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).