tert-butyl N-[methyl-(4-methyl-1,3-thiazole-2-carbonyl)amino]carbamate

C11H17N3O3S — CID 178112513

IUPACtert-butyl N-[methyl-(4-methyl-1,3-thiazole-2-carbonyl)amino]carbamate
SMILESCc1csc(C(=O)N(C)NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C11H17N3O3S/c1-7-6-18-8(12-7)9(15)14(5)13-10(16)17-11(2,3)4/h6H,1-5H3,(H,13,16)
InChIKeyFNVFPRGYVMIFMW-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.96
Rot. Bonds1

About tert-butyl N-[methyl-(4-methyl-1,3-thiazole-2-carbonyl)amino]carbamate

tert-butyl N-[methyl-(4-methyl-1,3-thiazole-2-carbonyl)amino]carbamate (PubChem CID 178112513) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is tert-butyl N-[methyl-(4-methyl-1,3-thiazole-2-carbonyl)amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[methyl-(4-methyl-1,3-thiazole-2-carbonyl)amino]carbamate
PubChem CID178112513
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Nametert-butyl N-[methyl-(4-methyl-1,3-thiazole-2-carbonyl)amino]carbamate
SMILESCc1csc(C(=O)N(C)NC(=O)OC(C)(C)C)n1
InChIInChI=1S/C11H17N3O3S/c1-7-6-18-8(12-7)9(15)14(5)13-10(16)17-11(2,3)4/h6H,1-5H3,(H,13,16)
InChIKeyFNVFPRGYVMIFMW-UHFFFAOYSA-N
XLogP1.96
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
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-[methyl-(4-methyl-1,3-thiazole-2-carbonyl)amino]carbamate?
The IUPAC name of tert-butyl N-[methyl-(4-methyl-1,3-thiazole-2-carbonyl)amino]carbamate (CID 178112513) is tert-butyl N-[methyl-(4-methyl-1,3-thiazole-2-carbonyl)amino]carbamate.
What is the SMILES notation for tert-butyl N-[methyl-(4-methyl-1,3-thiazole-2-carbonyl)amino]carbamate?
The canonical SMILES for tert-butyl N-[methyl-(4-methyl-1,3-thiazole-2-carbonyl)amino]carbamate is Cc1csc(C(=O)N(C)NC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[methyl-(4-methyl-1,3-thiazole-2-carbonyl)amino]carbamate?
The InChIKey is FNVFPRGYVMIFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-7-6-18-8(12-7)9(15)14(5)13-10(16)17-11(2,3)4/h6H,1-5H3,(H,13,16).
What are the key properties of tert-butyl N-[methyl-(4-methyl-1,3-thiazole-2-carbonyl)amino]carbamate?
tert-butyl N-[methyl-(4-methyl-1,3-thiazole-2-carbonyl)amino]carbamate has a molecular weight of 271.34 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[methyl-(4-methyl-1,3-thiazole-2-carbonyl)amino]carbamate is sourced from PubChem (CID 178112513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).