tert-butyl N-[(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamate

C10H15N3O3S — CID 66599382

IUPACtert-butyl N-[(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamate
SMILESCc1cnc(C(=O)NNC(=O)OC(C)(C)C)s1
InChIInChI=1S/C10H15N3O3S/c1-6-5-11-8(17-6)7(14)12-13-9(15)16-10(2,3)4/h5H,1-4H3,(H,12,14)(H,13,15)
InChIKeyGMYSOLGTHYNLBA-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.62
Rot. Bonds1

About tert-butyl N-[(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamate

tert-butyl N-[(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamate (PubChem CID 66599382) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is tert-butyl N-[(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamate
PubChem CID66599382
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Nametert-butyl N-[(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamate
SMILESCc1cnc(C(=O)NNC(=O)OC(C)(C)C)s1
InChIInChI=1S/C10H15N3O3S/c1-6-5-11-8(17-6)7(14)12-13-9(15)16-10(2,3)4/h5H,1-4H3,(H,12,14)(H,13,15)
InChIKeyGMYSOLGTHYNLBA-UHFFFAOYSA-N
XLogP1.62
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamate?
The IUPAC name of tert-butyl N-[(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamate (CID 66599382) is tert-butyl N-[(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamate.
What is the SMILES notation for tert-butyl N-[(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamate?
The canonical SMILES for tert-butyl N-[(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamate is Cc1cnc(C(=O)NNC(=O)OC(C)(C)C)s1.
What is the InChIKey of tert-butyl N-[(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamate?
The InChIKey is GMYSOLGTHYNLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-6-5-11-8(17-6)7(14)12-13-9(15)16-10(2,3)4/h5H,1-4H3,(H,12,14)(H,13,15).
What are the key properties of tert-butyl N-[(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamate?
tert-butyl N-[(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamate has a molecular weight of 257.31 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5-methyl-1,3-thiazole-2-carbonyl)amino]carbamate is sourced from PubChem (CID 66599382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).