tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]carbamate

C13H21N3O4S — CID 170914504

IUPACtert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cnc(NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C13H21N3O4S/c1-12(2,3)19-10(17)15-8-7-14-9(21-8)16-11(18)20-13(4,5)6/h7H,1-6H3,(H,15,17)(H,14,16,18)
InChIKeyCULPRZKPDHAATN-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.84
Rot. Bonds2

About tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]carbamate

tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]carbamate (PubChem CID 170914504) has the molecular formula C13H21N3O4S and a molecular weight of 315.40 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]carbamate
PubChem CID170914504
Molecular FormulaC13H21N3O4S
Molecular Weight315.40 g/mol
Exact Mass315.13
IUPAC Nametert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cnc(NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C13H21N3O4S/c1-12(2,3)19-10(17)15-8-7-14-9(21-8)16-11(18)20-13(4,5)6/h7H,1-6H3,(H,15,17)(H,14,16,18)
InChIKeyCULPRZKPDHAATN-UHFFFAOYSA-N
XLogP3.84
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-(5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-thiazol-2-yl)carbamate
CID 72210849
tert-butyl N-(5-bromo-1,3-thiazol-2-yl)carbamate
CID 21300388
tert-butyl N-(5-(tributylstannyl)-1,3-thiazol-2-yl)carbamate
CID 2763269
tert-butyl N-(1,3-thiazol-2-yl)carbamate
CID 11858898
tert-butyl N-(1,3-thiazol-5-yl)carbamate
CID 53432624
tert-butyl N-(5-iodo-1,3-thiazol-2-yl)carbamate
CID 119056951
tert-Butyl (5-fluoro-1,3-thiazol-2-yl)carbamate
CID 11858899
(Thiazol-2-ylcarbamoylmethyl)-carbamic acid tert-butyl ester
CID 25239137
tert-butyl N-(2-chloro-1,3-thiazol-5-yl)carbamate
CID 71748574
Trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]boranuide
CID 165998984
2-(Boc-amino)thiazole-5-boronic acid
CID 16639122
CID 58020073
CID 58020073

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]carbamate (CID 170914504) is tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]carbamate is CC(C)(C)OC(=O)Nc1cnc(NC(=O)OC(C)(C)C)s1.
What is the InChIKey of tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]carbamate?
The InChIKey is CULPRZKPDHAATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O4S/c1-12(2,3)19-10(17)15-8-7-14-9(21-8)16-11(18)20-13(4,5)6/h7H,1-6H3,(H,15,17)(H,14,16,18).
What are the key properties of tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]carbamate?
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]carbamate has a molecular weight of 315.40 g/mol, XLogP of 3.84, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-5-yl]carbamate is sourced from PubChem (CID 170914504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).