tert-butyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate

C11H18N2O2S — CID 65142790

IUPACtert-butyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
SMILESCC(C)c1csc(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C11H18N2O2S/c1-7(2)8-6-16-9(12-8)13-10(14)15-11(3,4)5/h6-7H,1-5H3,(H,12,13,14)
InChIKeyGSXJUAWYBNZXKH-UHFFFAOYSA-N
MW242.34 g/mol
LogP3.61
Rot. Bonds2

About tert-butyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate

tert-butyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate (PubChem CID 65142790) has the molecular formula C11H18N2O2S and a molecular weight of 242.34 g/mol. Its IUPAC name is tert-butyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
PubChem CID65142790
Molecular FormulaC11H18N2O2S
Molecular Weight242.34 g/mol
Exact Mass242.11
IUPAC Nametert-butyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
SMILESCC(C)c1csc(NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C11H18N2O2S/c1-7(2)8-6-16-9(12-8)13-10(14)15-11(3,4)5/h6-7H,1-5H3,(H,12,13,14)
InChIKeyGSXJUAWYBNZXKH-UHFFFAOYSA-N
XLogP3.61
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate
CID 58913263
tert-butyl N-[4-[1-(hydroxyamino)-2-sulfanylideneethyl]-1,3-thiazol-2-yl]carbamate
CID 91224760
(E)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]pent-3-enoic acid
CID 175674599
1-O-ethyl 3-O-methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]propanedioate
CID 139735139
propan-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylate
CID 133058956
3-amino-2,2,3-trimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)butanamide
CID 65270029
[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl] formate
CID 88716756
(2R)-2-amino-N-(4-propan-2-yl-1,3-thiazol-2-yl)propanamide
CID 78973473
2-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 47122981
tert-butyl N-[4-[2-(methylamino)-2-oxoethyl]-1,3-thiazol-2-yl]carbamate
CID 176721040
methyl-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]methyl]-oxophosphanium
CID 87420278
tert-butyl N-[4-[(E)-1-oxobut-2-en-2-yl]-1,3-thiazol-2-yl]carbamate
CID 88680289

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate?
The IUPAC name of tert-butyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate (CID 65142790) is tert-butyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate is CC(C)c1csc(NC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate?
The InChIKey is GSXJUAWYBNZXKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2S/c1-7(2)8-6-16-9(12-8)13-10(14)15-11(3,4)5/h6-7H,1-5H3,(H,12,13,14).
What are the key properties of tert-butyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate?
tert-butyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate has a molecular weight of 242.34 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-propan-2-yl-1,3-thiazol-2-yl)carbamate is sourced from PubChem (CID 65142790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).