tert-butyl N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]carbamate

C20H22N4O3S2 — CID 132606862

IUPACtert-butyl N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]carbamate
SMILESCC(=O)c1cccc(Nc2nc(-c3sc(NC(=O)OC(C)(C)C)nc3C)cs2)c1
InChIInChI=1S/C20H22N4O3S2/c1-11-16(29-18(21-11)24-19(26)27-20(3,4)5)15-10-28-17(23-15)22-14-8-6-7-13(9-14)12(2)25/h6-10H,1-5H3,(H,22,23)(H,21,24,26)
InChIKeyRCOQZGUXPQCAMZ-UHFFFAOYSA-N
MW430.56 g/mol
LogP5.87
Rot. Bonds5

About tert-butyl N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]carbamate

tert-butyl N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]carbamate (PubChem CID 132606862) has the molecular formula C20H22N4O3S2 and a molecular weight of 430.56 g/mol. Its IUPAC name is tert-butyl N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]carbamate
PubChem CID132606862
Molecular FormulaC20H22N4O3S2
Molecular Weight430.56 g/mol
Exact Mass430.11
IUPAC Nametert-butyl N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]carbamate
SMILESCC(=O)c1cccc(Nc2nc(-c3sc(NC(=O)OC(C)(C)C)nc3C)cs2)c1
InChIInChI=1S/C20H22N4O3S2/c1-11-16(29-18(21-11)24-19(26)27-20(3,4)5)15-10-28-17(23-15)22-14-8-6-7-13(9-14)12(2)25/h6-10H,1-5H3,(H,22,23)(H,21,24,26)
InChIKeyRCOQZGUXPQCAMZ-UHFFFAOYSA-N
XLogP5.87
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.56
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]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-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]carbamate (CID 132606862) is tert-butyl N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]carbamate is CC(=O)c1cccc(Nc2nc(-c3sc(NC(=O)OC(C)(C)C)nc3C)cs2)c1.
What is the InChIKey of tert-butyl N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]carbamate?
The InChIKey is RCOQZGUXPQCAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S2/c1-11-16(29-18(21-11)24-19(26)27-20(3,4)5)15-10-28-17(23-15)22-14-8-6-7-13(9-14)12(2)25/h6-10H,1-5H3,(H,22,23)(H,21,24,26).
What are the key properties of tert-butyl N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]carbamate?
tert-butyl N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]carbamate has a molecular weight of 430.56 g/mol, XLogP of 5.87, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[2-(3-acetylanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]carbamate is sourced from PubChem (CID 132606862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).