tert-butyl N-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methyl]carbamate

C14H22N2O4S — CID 134874932

IUPACtert-butyl N-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](c1nccs1)[C@H]1COC(C)(C)O1
InChIInChI=1S/C14H22N2O4S/c1-13(2,3)20-12(17)16-10(11-15-6-7-21-11)9-8-18-14(4,5)19-9/h6-7,9-10H,8H2,1-5H3,(H,16,17)/t9-,10-/m1/s1
InChIKeyHYVGLFOJAXPFEJ-NXEZZACHSA-N
MW314.41 g/mol
LogP2.86
Rot. Bonds3

About tert-butyl N-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methyl]carbamate

tert-butyl N-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methyl]carbamate (PubChem CID 134874932) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is tert-butyl N-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methyl]carbamate
PubChem CID134874932
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Nametert-butyl N-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](c1nccs1)[C@H]1COC(C)(C)O1
InChIInChI=1S/C14H22N2O4S/c1-13(2,3)20-12(17)16-10(11-15-6-7-21-11)9-8-18-14(4,5)19-9/h6-7,9-10H,8H2,1-5H3,(H,16,17)/t9-,10-/m1/s1
InChIKeyHYVGLFOJAXPFEJ-NXEZZACHSA-N
XLogP2.86
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(S)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methyl]carbamate
CID 134874893
tert-butyl (4R)-2,2-dimethyl-4-[(R)-[(2-methylpropan-2-yl)oxycarbonylamino]-(1,3-thiazol-2-yl)methyl]-1,3-oxazolidine-3-carboxylate
CID 134874953
tert-butyl (1R,2S)-2,3-bis(tert-butyldimethylsilyloxy)-1-(thiazol-2-yl)propylcarbamate
CID 86635711
tert-butyl N-[2-morpholin-4-yl-2-(1,3-thiazol-2-yl)ethyl]carbamate
CID 118297234
tert-butyl N-[(1S)-1-[(2S)-oxiran-2-yl]-2-(1,3-thiazol-2-yl)ethyl]carbamate
CID 140497936
tert-butyl N-[(4R,5R,6R)-2,2,4-trimethyl-6-(3-methyl-1,3-thiazol-3-ium-2-yl)-1,3-dioxan-5-yl]carbamate
CID 10255092
N-[(S)-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 11111072
tert-butyl N-[(4R,5R,6R)-2,2,4-trimethyl-6-(1,3-thiazol-2-yl)-1,3-dioxan-5-yl]carbamate
CID 15934269
1-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 42656309
tert-butyl (3S,4S)-3-hydroxy-4-[1-(1,3-thiazol-2-yl)ethylamino]pyrrolidine-1-carboxylate
CID 71670646
tert-butyl N-[5-methoxy-4-[1-(1,3-thiazol-2-yl)ethylamino]pentyl]carbamate
CID 103390075
tert-butyl (3S)-3-methoxy-4-(1,3-thiazol-2-ylmethylamino)pyrrolidine-1-carboxylate
CID 103845389

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methyl]carbamate (CID 134874932) is tert-butyl N-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methyl]carbamate is CC(C)(C)OC(=O)N[C@@H](c1nccs1)[C@H]1COC(C)(C)O1.
What is the InChIKey of tert-butyl N-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methyl]carbamate?
The InChIKey is HYVGLFOJAXPFEJ-NXEZZACHSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-13(2,3)20-12(17)16-10(11-15-6-7-21-11)9-8-18-14(4,5)19-9/h6-7,9-10H,8H2,1-5H3,(H,16,17)/t9-,10-/m1/s1.
What are the key properties of tert-butyl N-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methyl]carbamate?
tert-butyl N-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methyl]carbamate has a molecular weight of 314.41 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methyl]carbamate is sourced from PubChem (CID 134874932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).