tert-butyl N-[(1R,3R)-1-hydroxy-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentan-3-yl]carbamate

C15H26N2O4S — CID 122521788

IUPACtert-butyl N-[(1R,3R)-1-hydroxy-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentan-3-yl]carbamate
SMILESCC(C)[C@@H](C[C@@H](O)c1nc(CO)cs1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O4S/c1-9(2)11(17-14(20)21-15(3,4)5)6-12(19)13-16-10(7-18)8-22-13/h8-9,11-12,18-19H,6-7H2,1-5H3,(H,17,20)/t11-,12-/m1/s1
InChIKeyDIAMALOKRANUNQ-VXGBXAGGSA-N
MW330.45 g/mol
LogP2.61
Rot. Bonds6

About tert-butyl N-[(1R,3R)-1-hydroxy-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentan-3-yl]carbamate

tert-butyl N-[(1R,3R)-1-hydroxy-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentan-3-yl]carbamate (PubChem CID 122521788) has the molecular formula C15H26N2O4S and a molecular weight of 330.45 g/mol. Its IUPAC name is tert-butyl N-[(1R,3R)-1-hydroxy-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,3R)-1-hydroxy-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentan-3-yl]carbamate
PubChem CID122521788
Molecular FormulaC15H26N2O4S
Molecular Weight330.45 g/mol
Exact Mass330.16
IUPAC Nametert-butyl N-[(1R,3R)-1-hydroxy-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentan-3-yl]carbamate
SMILESCC(C)[C@@H](C[C@@H](O)c1nc(CO)cs1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O4S/c1-9(2)11(17-14(20)21-15(3,4)5)6-12(19)13-16-10(7-18)8-22-13/h8-9,11-12,18-19H,6-7H2,1-5H3,(H,17,20)/t11-,12-/m1/s1
InChIKeyDIAMALOKRANUNQ-VXGBXAGGSA-N
XLogP2.61
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(1R,3R)-1-hydroxy-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentan-3-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,3R)-1-hydroxy-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R,3R)-1-hydroxy-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentan-3-yl]carbamate (CID 122521788) is tert-butyl N-[(1R,3R)-1-hydroxy-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,3R)-1-hydroxy-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,3R)-1-hydroxy-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentan-3-yl]carbamate is CC(C)[C@@H](C[C@@H](O)c1nc(CO)cs1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1R,3R)-1-hydroxy-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentan-3-yl]carbamate?
The InChIKey is DIAMALOKRANUNQ-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H26N2O4S/c1-9(2)11(17-14(20)21-15(3,4)5)6-12(19)13-16-10(7-18)8-22-13/h8-9,11-12,18-19H,6-7H2,1-5H3,(H,17,20)/t11-,12-/m1/s1.
What are the key properties of tert-butyl N-[(1R,3R)-1-hydroxy-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentan-3-yl]carbamate?
tert-butyl N-[(1R,3R)-1-hydroxy-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentan-3-yl]carbamate has a molecular weight of 330.45 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,3R)-1-hydroxy-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-methylpentan-3-yl]carbamate is sourced from PubChem (CID 122521788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).