tert-butyl N-[(4-propanoyl-1,3-thiazol-2-yl)methyl]carbamate

C12H18N2O3S — CID 165464954

IUPACtert-butyl N-[(4-propanoyl-1,3-thiazol-2-yl)methyl]carbamate
SMILESCCC(=O)c1csc(CNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C12H18N2O3S/c1-5-9(15)8-7-18-10(14-8)6-13-11(16)17-12(2,3)4/h7H,5-6H2,1-4H3,(H,13,16)
InChIKeyQECWLMDXSFKPAH-UHFFFAOYSA-N
MW270.35 g/mol
LogP2.76
Rot. Bonds4

About tert-butyl N-[(4-propanoyl-1,3-thiazol-2-yl)methyl]carbamate

tert-butyl N-[(4-propanoyl-1,3-thiazol-2-yl)methyl]carbamate (PubChem CID 165464954) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is tert-butyl N-[(4-propanoyl-1,3-thiazol-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-propanoyl-1,3-thiazol-2-yl)methyl]carbamate
PubChem CID165464954
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Nametert-butyl N-[(4-propanoyl-1,3-thiazol-2-yl)methyl]carbamate
SMILESCCC(=O)c1csc(CNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C12H18N2O3S/c1-5-9(15)8-7-18-10(14-8)6-13-11(16)17-12(2,3)4/h7H,5-6H2,1-4H3,(H,13,16)
InChIKeyQECWLMDXSFKPAH-UHFFFAOYSA-N
XLogP2.76
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-propanoyl-1,3-thiazol-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(4-propanoyl-1,3-thiazol-2-yl)methyl]carbamate (CID 165464954) is tert-butyl N-[(4-propanoyl-1,3-thiazol-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-propanoyl-1,3-thiazol-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(4-propanoyl-1,3-thiazol-2-yl)methyl]carbamate is CCC(=O)c1csc(CNC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[(4-propanoyl-1,3-thiazol-2-yl)methyl]carbamate?
The InChIKey is QECWLMDXSFKPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-5-9(15)8-7-18-10(14-8)6-13-11(16)17-12(2,3)4/h7H,5-6H2,1-4H3,(H,13,16).
What are the key properties of tert-butyl N-[(4-propanoyl-1,3-thiazol-2-yl)methyl]carbamate?
tert-butyl N-[(4-propanoyl-1,3-thiazol-2-yl)methyl]carbamate has a molecular weight of 270.35 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-propanoyl-1,3-thiazol-2-yl)methyl]carbamate is sourced from PubChem (CID 165464954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).